6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine

C25H28ClN5O2 — CID 143255802

IUPAC6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1.Cc1cc(Cl)ccc1-c1c(CN)c(C)nc2nc(C=O)cn12
InChIInChI=1S/C16H15ClN4O.C9H13NO/c1-9-5-11(17)3-4-13(9)15-14(6-18)10(2)19-16-20-12(8-22)7-21(15)16;1-10-7-8-3-5-9(11-2)6-4-8/h3-5,7-8H,6,18H2,1-2H3;3-6,10H,7H2,1-2H3
InChIKeyCMONVCMYJZQFRW-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.35
Rot. Bonds6

About 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine

6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 143255802) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID143255802
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1.Cc1cc(Cl)ccc1-c1c(CN)c(C)nc2nc(C=O)cn12
InChIInChI=1S/C16H15ClN4O.C9H13NO/c1-9-5-11(17)3-4-13(9)15-14(6-18)10(2)19-16-20-12(8-22)7-21(15)16;1-10-7-8-3-5-9(11-2)6-4-8/h3-5,7-8H,6,18H2,1-2H3;3-6,10H,7H2,1-2H3
InChIKeyCMONVCMYJZQFRW-UHFFFAOYSA-N
XLogP4.35
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-amine
CID 143255766
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
5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde
CID 143338187
5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 88961022
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255780
5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
CID 18755567
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
CID 23291615
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine (CID 143255802) is 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine is CNCc1ccc(OC)cc1.Cc1cc(Cl)ccc1-c1c(CN)c(C)nc2nc(C=O)cn12.
What is the InChIKey of 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is CMONVCMYJZQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O.C9H13NO/c1-9-5-11(17)3-4-13(9)15-14(6-18)10(2)19-16-20-12(8-22)7-21(15)16;1-10-7-8-3-5-9(11-2)6-4-8/h3-5,7-8H,6,18H2,1-2H3;3-6,10H,7H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 465.99 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 143255802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).