6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine

C15H26N4O2S — CID 124974272

IUPAC6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-15-10-14(16-11-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyKPOVXDICPQYOTA-ZDUSSCGKSA-N
MW326.47 g/mol
LogP1.90
Rot. Bonds5

About 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine

6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 124974272) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID124974272
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18-15-10-14(16-11-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyKPOVXDICPQYOTA-ZDUSSCGKSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-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

5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
N-butan-2-yl-6-(cyclopropylmethyl)pyrimidin-4-amine
CID 126848220
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101065
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395

Frequently Asked Questions

What is the IUPAC name of 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine (CID 124974272) is 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is KPOVXDICPQYOTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)18-15-10-14(16-11-17-15)9-13-5-4-7-19(8-6-13)22(3,20)21/h10-13H,4-9H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine?
6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 326.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4S)-1-methylsulfonylazepan-4-yl]methyl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 124974272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).