N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine

C16H23N7 — CID 124967538

IUPACN-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1ncc(CN2CCCC[C@@H]2c2ccnc(NC)n2)cn1
InChIInChI=1S/C16H23N7/c1-17-15-20-9-12(10-21-15)11-23-8-4-3-5-14(23)13-6-7-19-16(18-2)22-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,17,20,21)(H,18,19,22)/t14-/m1/s1
InChIKeyITTYTRSDJIDCMV-CQSZACIVSA-N
MW313.41 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine

N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 124967538) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID124967538
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1ncc(CN2CCCC[C@@H]2c2ccnc(NC)n2)cn1
InChIInChI=1S/C16H23N7/c1-17-15-20-9-12(10-21-15)11-23-8-4-3-5-14(23)13-6-7-19-16(18-2)22-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,17,20,21)(H,18,19,22)/t14-/m1/s1
InChIKeyITTYTRSDJIDCMV-CQSZACIVSA-N
XLogP2.08
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 127244806
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
4-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124965793
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125015958
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244833
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine (CID 124967538) is N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine is CNc1ncc(CN2CCCC[C@@H]2c2ccnc(NC)n2)cn1.
What is the InChIKey of N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is ITTYTRSDJIDCMV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N7/c1-17-15-20-9-12(10-21-15)11-23-8-4-3-5-14(23)13-6-7-19-16(18-2)22-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,17,20,21)(H,18,19,22)/t14-/m1/s1.
What are the key properties of N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine?
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 124967538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).