4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

C16H21N5O — CID 125435533

IUPAC4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C16H21N5O/c1-22-15-6-8-18-16(20-15)19-14-5-3-9-21(12-14)11-13-4-2-7-17-10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyUXFIQANLSNOOMT-CQSZACIVSA-N
MW299.38 g/mol
LogP1.96
Rot. Bonds5

About 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine

4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 125435533) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID125435533
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C16H21N5O/c1-22-15-6-8-18-16(20-15)19-14-5-3-9-21(12-14)11-13-4-2-7-17-10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyUXFIQANLSNOOMT-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

6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95596178
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171995555
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate
CID 129433233
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine (CID 125435533) is 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is COc1ccnc(N[C@@H]2CCCN(Cc3cccnc3)C2)n1.
What is the InChIKey of 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is UXFIQANLSNOOMT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-15-6-8-18-16(20-15)19-14-5-3-9-21(12-14)11-13-4-2-7-17-10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-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 4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 125435533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).