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

C14H18N6 — CID 125027098

IUPAC6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H18N6/c1-10-8-12(20-14-16-6-3-7-17-14)19-13(18-10)11-4-2-5-15-9-11/h3,6-8,11,15H,2,4-5,9H2,1H3,(H,16,17,18,19,20)/t11-/m0/s1
InChIKeyZYKFDEDSSJFHQR-NSHDSACASA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds3

About 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine

6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 125027098) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID125027098
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc([C@H]2CCCNC2)n1
InChIInChI=1S/C14H18N6/c1-10-8-12(20-14-16-6-3-7-17-14)19-13(18-10)11-4-2-5-15-9-11/h3,6-8,11,15H,2,4-5,9H2,1H3,(H,16,17,18,19,20)/t11-/m0/s1
InChIKeyZYKFDEDSSJFHQR-NSHDSACASA-N
XLogP1.79
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124978971
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
CID 175661062

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 125027098) is 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ncccn2)nc([C@H]2CCCNC2)n1.
What is the InChIKey of 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is ZYKFDEDSSJFHQR-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6/c1-10-8-12(20-14-16-6-3-7-17-14)19-13(18-10)11-4-2-5-15-9-11/h3,6-8,11,15H,2,4-5,9H2,1H3,(H,16,17,18,19,20)/t11-/m0/s1.
What are the key properties of 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 125027098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).