1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine

C23H24ClN5 — CID 143255801

IUPAC1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine
SMILESC=C(NCC1=CC=CC1)c1cn2c(-c3ccc(Cl)cc3C)c(CN)c(C)nc2n1
InChIInChI=1S/C23H24ClN5/c1-14-10-18(24)8-9-19(14)22-20(11-25)15(2)27-23-28-21(13-29(22)23)16(3)26-12-17-6-4-5-7-17/h4-6,8-10,13,26H,3,7,11-12,25H2,1-2H3
InChIKeyXBIPZWONNBULHZ-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.57
Rot. Bonds6

About 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine

1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine (PubChem CID 143255801) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine.

Molecular Properties

Compound Name1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine
PubChem CID143255801
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC Name1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine
SMILESC=C(NCC1=CC=CC1)c1cn2c(-c3ccc(Cl)cc3C)c(CN)c(C)nc2n1
InChIInChI=1S/C23H24ClN5/c1-14-10-18(24)8-9-19(14)22-20(11-25)15(2)27-23-28-21(13-29(22)23)16(3)26-12-17-6-4-5-7-17/h4-6,8-10,13,26H,3,7,11-12,25H2,1-2H3
InChIKeyXBIPZWONNBULHZ-UHFFFAOYSA-N
XLogP4.57
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-amine
CID 143255766
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-N,7-dimethyl-N-propylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255753
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 11508829
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,N-diethyl-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900261
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899940
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 143255802
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255780
5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 88961022
4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 46900422
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 143255709
6-(aminomethyl)-5-(2-chloro-4-methylphenyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255699
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
CID 143255719

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine?
The IUPAC name of 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine (CID 143255801) is 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine.
What is the SMILES notation for 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine?
The canonical SMILES for 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine is C=C(NCC1=CC=CC1)c1cn2c(-c3ccc(Cl)cc3C)c(CN)c(C)nc2n1.
What is the InChIKey of 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine?
The InChIKey is XBIPZWONNBULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-14-10-18(24)8-9-19(14)22-20(11-25)15(2)27-23-28-21(13-29(22)23)16(3)26-12-17-6-4-5-7-17/h4-6,8-10,13,26H,3,7,11-12,25H2,1-2H3.
What are the key properties of 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine?
1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine has a molecular weight of 405.93 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-N-(cyclopenta-1,3-dien-1-ylmethyl)ethenamine is sourced from PubChem (CID 143255801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).