N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine

C19H23N5 — CID 167900121

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(NCc3cn4cccnc4n3)C2)cc1
InChIInChI=1S/C19H23N5/c1-15-3-5-16(6-4-15)12-23-10-7-17(13-23)21-11-18-14-24-9-2-8-20-19(24)22-18/h2-6,8-9,14,17,21H,7,10-13H2,1H3
InChIKeyDSXISWAYDCMIHV-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.40
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 167900121) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID167900121
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(NCc3cn4cccnc4n3)C2)cc1
InChIInChI=1S/C19H23N5/c1-15-3-5-16(6-4-15)12-23-10-7-17(13-23)21-11-18-14-24-9-2-8-20-19(24)22-18/h2-6,8-9,14,17,21H,7,10-13H2,1H3
InChIKeyDSXISWAYDCMIHV-UHFFFAOYSA-N
XLogP2.40
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 56718052
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine (CID 167900121) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine is Cc1ccc(CN2CCC(NCc3cn4cccnc4n3)C2)cc1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is DSXISWAYDCMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-15-3-5-16(6-4-15)12-23-10-7-17(13-23)21-11-18-14-24-9-2-8-20-19(24)22-18/h2-6,8-9,14,17,21H,7,10-13H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 321.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 167900121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).