4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine

C17H30N6O3S — CID 134696150

IUPAC4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc(N)n1
InChIInChI=1S/C17H30N6O3S/c1-14(2)26-16-13-15(19-17(18)20-16)21-7-6-10-23(12-11-21)27(24,25)22-8-4-3-5-9-22/h13-14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyBVTIVYFRLSQILS-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.09
Rot. Bonds5

About 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine

4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 134696150) has the molecular formula C17H30N6O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
PubChem CID134696150
Molecular FormulaC17H30N6O3S
Molecular Weight398.53 g/mol
Exact Mass398.21
IUPAC Name4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc(N)n1
InChIInChI=1S/C17H30N6O3S/c1-14(2)26-16-13-15(19-17(18)20-16)21-7-6-10-23(12-11-21)27(24,25)22-8-4-3-5-9-22/h13-14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyBVTIVYFRLSQILS-UHFFFAOYSA-N
XLogP1.09
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine 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

N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50982057
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
CID 72897316
4,5-dimethyl-6-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 72840000
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150
1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72839277
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine (CID 134696150) is 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1cc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc(N)n1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is BVTIVYFRLSQILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O3S/c1-14(2)26-16-13-15(19-17(18)20-16)21-7-6-10-23(12-11-21)27(24,25)22-8-4-3-5-9-22/h13-14H,3-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine?
4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 398.53 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 134696150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).