4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine

C16H21N5O — CID 39817678

IUPAC4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-12-8-15(20-16(17)19-12)21-7-3-5-14(10-21)22-11-13-4-2-6-18-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,17,19,20)/t14-/m0/s1
InChIKeyHQCHKUUGTLJLSZ-AWEZNQCLSA-N
MW299.38 g/mol
LogP1.95
Rot. Bonds4

About 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 39817678) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
PubChem CID39817678
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-12-8-15(20-16(17)19-12)21-7-3-5-14(10-21)22-11-13-4-2-6-18-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,17,19,20)/t14-/m0/s1
InChIKeyHQCHKUUGTLJLSZ-AWEZNQCLSA-N
XLogP1.95
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 96574780
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
CID 72915583
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
CID 154844891
N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72876721
5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 25287947
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 72853895
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131895658
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine (CID 39817678) is 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is HQCHKUUGTLJLSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-8-15(20-16(17)19-12)21-7-3-5-14(10-21)22-11-13-4-2-6-18-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H2,17,19,20)/t14-/m0/s1.
What are the key properties of 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 39817678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).