N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine

C20H19N5O2 — CID 4973329

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cccc(C=NNc2ncnc3c2[nH]c2cc(C)ccc23)c1OC
InChIInChI=1S/C20H19N5O2/c1-12-7-8-14-15(9-12)24-18-17(14)21-11-22-20(18)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-11,24H,1-3H3,(H,21,22,25)
InChIKeyUDNWWAMEIUHPPG-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.88
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine

N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 4973329) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID4973329
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cccc(C=NNc2ncnc3c2[nH]c2cc(C)ccc23)c1OC
InChIInChI=1S/C20H19N5O2/c1-12-7-8-14-15(9-12)24-18-17(14)21-11-22-20(18)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-11,24H,1-3H3,(H,21,22,25)
InChIKeyUDNWWAMEIUHPPG-UHFFFAOYSA-N
XLogP3.88
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine
CID 6220123
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511995
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 6218691
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265613
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine;2-ethoxyprop-1-ene
CID 143204728
2-[(2E)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733641
2-methoxy-6-[(E)-[(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135613728
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962098

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine (CID 4973329) is N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine is COc1cccc(C=NNc2ncnc3c2[nH]c2cc(C)ccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is UDNWWAMEIUHPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-7-8-14-15(9-12)24-18-17(14)21-11-22-20(18)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-11,24H,1-3H3,(H,21,22,25).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine?
N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 361.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-7-methyl-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 4973329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).