6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

C16H21N5O — CID 95140355

IUPAC6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCCN(Cc3cccnc3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-22-16-8-15(18-12-19-16)20-14-5-3-7-21(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyPALNNWMOBXDZOA-CQSZACIVSA-N
MW299.38 g/mol
LogP1.96
Rot. Bonds5

About 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95140355) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID95140355
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCCN(Cc3cccnc3)C2)ncn1
InChIInChI=1S/C16H21N5O/c1-22-16-8-15(18-12-19-16)20-14-5-3-7-21(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyPALNNWMOBXDZOA-CQSZACIVSA-N
XLogP1.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (CID 95140355) is 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is COc1cc(N[C@@H]2CCCN(Cc3cccnc3)C2)ncn1.
What is the InChIKey of 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is PALNNWMOBXDZOA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-16-8-15(18-12-19-16)20-14-5-3-7-21(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95140355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).