4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine

C18H27N7O2S — CID 126891509

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ncn1
InChIInChI=1S/C18H27N7O2S/c1-22(2)17-10-18(20-13-19-17)25(14-4-5-14)15-6-8-24(9-7-15)28(26,27)16-11-21-23(3)12-16/h10-15H,4-9H2,1-3H3
InChIKeyHFRSZZAKATYUPF-UHFFFAOYSA-N
MW405.53 g/mol
LogP1.10
Rot. Bonds6

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891509) has the molecular formula C18H27N7O2S and a molecular weight of 405.53 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891509
Molecular FormulaC18H27N7O2S
Molecular Weight405.53 g/mol
Exact Mass405.19
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ncn1
InChIInChI=1S/C18H27N7O2S/c1-22(2)17-10-18(20-13-19-17)25(14-4-5-14)15-6-8-24(9-7-15)28(26,27)16-11-21-23(3)12-16/h10-15H,4-9H2,1-3H3
InChIKeyHFRSZZAKATYUPF-UHFFFAOYSA-N
XLogP1.10
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126891533
N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890832
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
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-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 146136179
6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097239
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine (CID 126891509) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is HFRSZZAKATYUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2S/c1-22(2)17-10-18(20-13-19-17)25(14-4-5-14)15-6-8-24(9-7-15)28(26,27)16-11-21-23(3)12-16/h10-15H,4-9H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 405.53 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).