4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine

C17H28N4 — CID 95402847

IUPAC4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
SMILESC[C@H]1CCCN(CCNc2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4/c1-14-5-4-11-21(13-14)12-10-19-17-18-9-8-16(20-17)15-6-2-3-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyATPQLRNGNQZWTK-AWEZNQCLSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds5

About 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine

4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine (PubChem CID 95402847) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
PubChem CID95402847
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
SMILESC[C@H]1CCCN(CCNc2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4/c1-14-5-4-11-21(13-14)12-10-19-17-18-9-8-16(20-17)15-6-2-3-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyATPQLRNGNQZWTK-AWEZNQCLSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
CID 44591284
N-(5-methyl-2-pyridinyl)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 95837498
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794
3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
CID 56870578
4-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrimidine
CID 177203554
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine (CID 95402847) is 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine is C[C@H]1CCCN(CCNc2nccc(C3CCCC3)n2)C1.
What is the InChIKey of 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
The InChIKey is ATPQLRNGNQZWTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4/c1-14-5-4-11-21(13-14)12-10-19-17-18-9-8-16(20-17)15-6-2-3-7-15/h8-9,14-15H,2-7,10-13H2,1H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine?
4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 95402847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).