5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one

C20H29N7O — CID 126891533

IUPAC5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3cnn(C)c(=O)c3)CC2)ncn1
InChIInChI=1S/C20H29N7O/c1-24(2)18-11-19(22-14-21-18)27(16-4-5-16)17-6-8-26(9-7-17)13-15-10-20(28)25(3)23-12-15/h10-12,14,16-17H,4-9,13H2,1-3H3
InChIKeyLUKPXFQFTUPNDF-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.27
Rot. Bonds6

About 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one

5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one (PubChem CID 126891533) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
PubChem CID126891533
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3cnn(C)c(=O)c3)CC2)ncn1
InChIInChI=1S/C20H29N7O/c1-24(2)18-11-19(22-14-21-18)27(16-4-5-16)17-6-8-26(9-7-17)13-15-10-20(28)25(3)23-12-15/h10-12,14,16-17H,4-9,13H2,1-3H3
InChIKeyLUKPXFQFTUPNDF-UHFFFAOYSA-N
XLogP1.27
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541
6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097239
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
CID 126891509
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921
1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 126891669
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-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
CID 126891599
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326432

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one (CID 126891533) is 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one is CN(C)c1cc(N(C2CC2)C2CCN(Cc3cnn(C)c(=O)c3)CC2)ncn1.
What is the InChIKey of 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The InChIKey is LUKPXFQFTUPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-24(2)18-11-19(22-14-21-18)27(16-4-5-16)17-6-8-26(9-7-17)13-15-10-20(28)25(3)23-12-15/h10-12,14,16-17H,4-9,13H2,1-3H3.
What are the key properties of 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one has a molecular weight of 383.50 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126891533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).