4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C17H24N6O — CID 126891615

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-21(2)15-11-16(20-12-19-15)23(13-3-4-13)14-5-8-22(9-6-14)17-18-7-10-24-17/h7,10-14H,3-6,8-9H2,1-2H3
InChIKeyIVZXXSBWHXPEPP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds5

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891615) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891615
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-21(2)15-11-16(20-12-19-15)23(13-3-4-13)14-5-8-22(9-6-14)17-18-7-10-24-17/h7,10-14H,3-6,8-9H2,1-2H3
InChIKeyIVZXXSBWHXPEPP-UHFFFAOYSA-N
XLogP2.17
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126891020
4-N,4-N-dimethyl-6-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888667
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
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
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-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-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891497
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
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 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) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(c3ncco3)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is IVZXXSBWHXPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21(2)15-11-16(20-12-19-15)23(13-3-4-13)14-5-8-22(9-6-14)17-18-7-10-24-17/h7,10-14H,3-6,8-9H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).