2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

C14H20N6 — CID 95144057

IUPAC2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC[C@H](Cn3ccnc3)C2)n1
InChIInChI=1S/C14H20N6/c1-15-13-4-5-17-14(18-13)20-7-2-3-12(10-20)9-19-8-6-16-11-19/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,15,17,18)/t12-/m1/s1
InChIKeyMLXZHABYIYWUJY-GFCCVEGCSA-N
MW272.36 g/mol
LogP1.63
Rot. Bonds4

About 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 95144057) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID95144057
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(N2CCC[C@H](Cn3ccnc3)C2)n1
InChIInChI=1S/C14H20N6/c1-15-13-4-5-17-14(18-13)20-7-2-3-12(10-20)9-19-8-6-16-11-19/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,15,17,18)/t12-/m1/s1
InChIKeyMLXZHABYIYWUJY-GFCCVEGCSA-N
XLogP1.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 95144057) is 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is CNc1ccnc(N2CCC[C@H](Cn3ccnc3)C2)n1.
What is the InChIKey of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is MLXZHABYIYWUJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-13-4-5-17-14(18-13)20-7-2-3-12(10-20)9-19-8-6-16-11-19/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H,15,17,18)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 95144057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).