4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine

C21H29N7O — CID 126891672

IUPAC4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCOC4)CC2)ncn1
InChIInChI=1S/C21H29N7O/c1-26(2)19-12-20(23-14-22-19)28(16-3-4-16)17-5-8-27(9-6-17)21-11-15-13-29-10-7-18(15)24-25-21/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyBVSXYBXHKVCFOG-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.04
Rot. Bonds5

About 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126891672) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID126891672
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCOC4)CC2)ncn1
InChIInChI=1S/C21H29N7O/c1-26(2)19-12-20(23-14-22-19)28(16-3-4-16)17-5-8-27(9-6-17)21-11-15-13-29-10-7-18(15)24-25-21/h11-12,14,16-17H,3-10,13H2,1-2H3
InChIKeyBVSXYBXHKVCFOG-UHFFFAOYSA-N
XLogP2.04
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 126891673
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890776
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
6-(difluoromethyl)-3-[[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944201
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891656
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891574
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891497
5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126891533
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine (CID 126891672) is 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(c3cc4c(nn3)CCOC4)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is BVSXYBXHKVCFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-26(2)19-12-20(23-14-22-19)28(16-3-4-16)17-5-8-27(9-6-17)21-11-15-13-29-10-7-18(15)24-25-21/h11-12,14,16-17H,3-10,13H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 395.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126891672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).