4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

C13H16N6 — CID 125011656

IUPAC4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCCNC3)n2)nc1
InChIInChI=1S/C13H16N6/c1-3-10(9-14-5-1)11-4-8-17-13(18-11)19-12-15-6-2-7-16-12/h2,4,6-8,10,14H,1,3,5,9H2,(H,15,16,17,18,19)/t10-/m0/s1
InChIKeyVRWRBIDSICKTIB-JTQLQIEISA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds3

About 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 125011656) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
PubChem CID125011656
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCCNC3)n2)nc1
InChIInChI=1S/C13H16N6/c1-3-10(9-14-5-1)11-4-8-17-13(18-11)19-12-15-6-2-7-16-12/h2,4,6-8,10,14H,1,3,5,9H2,(H,15,16,17,18,19)/t10-/m0/s1
InChIKeyVRWRBIDSICKTIB-JTQLQIEISA-N
XLogP1.48
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 110089639
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 124957141
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
CID 175661062
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110089633
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (CID 125011656) is 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is c1cnc(Nc2nccc([C@H]3CCCNC3)n2)nc1.
What is the InChIKey of 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
The InChIKey is VRWRBIDSICKTIB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6/c1-3-10(9-14-5-1)11-4-8-17-13(18-11)19-12-15-6-2-7-16-12/h2,4,6-8,10,14H,1,3,5,9H2,(H,15,16,17,18,19)/t10-/m0/s1.
What are the key properties of 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 125011656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).