4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine

C13H22N4 — CID 95821349

IUPAC4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC[C@H](c2ccnc(N)n2)C1
InChIInChI=1S/C13H22N4/c1-10(2)8-17-7-3-4-11(9-17)12-5-6-15-13(14)16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyCTHOPKQUJJLPMQ-NSHDSACASA-N
MW234.35 g/mol
LogP1.89
Rot. Bonds3

About 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine

4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95821349) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID95821349
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC[C@H](c2ccnc(N)n2)C1
InChIInChI=1S/C13H22N4/c1-10(2)8-17-7-3-4-11(9-17)12-5-6-15-13(14)16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H2,14,15,16)/t11-/m0/s1
InChIKeyCTHOPKQUJJLPMQ-NSHDSACASA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 102563603
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 100748585
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
CID 100625483
4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine
CID 95841747

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine (CID 95821349) is 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine is CC(C)CN1CCC[C@H](c2ccnc(N)n2)C1.
What is the InChIKey of 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is CTHOPKQUJJLPMQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)8-17-7-3-4-11(9-17)12-5-6-15-13(14)16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine?
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95821349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).