4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C15H20N6O — CID 125000364

IUPAC4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1ncc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1
InChIInChI=1S/C15H20N6O/c1-22-15-18-8-11(9-19-15)10-21-7-3-2-4-13(21)12-5-6-17-14(16)20-12/h5-6,8-9,13H,2-4,7,10H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyRVIBLLVRLHCKLP-ZDUSSCGKSA-N
MW300.37 g/mol
LogP1.58
Rot. Bonds4

About 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 125000364) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID125000364
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1ncc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1
InChIInChI=1S/C15H20N6O/c1-22-15-18-8-11(9-19-15)10-21-7-3-2-4-13(21)12-5-6-17-14(16)20-12/h5-6,8-9,13H,2-4,7,10H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyRVIBLLVRLHCKLP-ZDUSSCGKSA-N
XLogP1.58
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255862
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 132776569
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 125000364) is 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is COc1ncc(CN2CCCC[C@H]2c2ccnc(N)n2)cn1.
What is the InChIKey of 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is RVIBLLVRLHCKLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6O/c1-22-15-18-8-11(9-19-15)10-21-7-3-2-4-13(21)12-5-6-17-14(16)20-12/h5-6,8-9,13H,2-4,7,10H2,1H3,(H2,16,17,20)/t13-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 125000364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).