7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine

C13H18N4 — CID 66650352

IUPAC7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccn2cc(C[C@@H]3CCCCN3)nc2n1
InChIInChI=1S/C13H18N4/c1-10-5-7-17-9-12(16-13(17)15-10)8-11-4-2-3-6-14-11/h5,7,9,11,14H,2-4,6,8H2,1H3/t11-/m0/s1
InChIKeyBJNGOEVUYQKALL-NSHDSACASA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds2

About 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine

7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 66650352) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID66650352
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccn2cc(C[C@@H]3CCCCN3)nc2n1
InChIInChI=1S/C13H18N4/c1-10-5-7-17-9-12(16-13(17)15-10)8-11-4-2-3-6-14-11/h5,7,9,11,14H,2-4,6,8H2,1H3/t11-/m0/s1
InChIKeyBJNGOEVUYQKALL-NSHDSACASA-N
XLogP1.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrazine
CID 58525287
[2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117134516
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272
2-[(1-ethyltriazol-4-yl)methyl]piperidine
CID 115020003
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632096
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine (CID 66650352) is 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1ccn2cc(C[C@@H]3CCCCN3)nc2n1.
What is the InChIKey of 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is BJNGOEVUYQKALL-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4/c1-10-5-7-17-9-12(16-13(17)15-10)8-11-4-2-3-6-14-11/h5,7,9,11,14H,2-4,6,8H2,1H3/t11-/m0/s1.
What are the key properties of 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine?
7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 66650352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).