N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H20N4O2 — CID 110430805

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3[nH]c(C)cc23)cc1OC
InChIInChI=1S/C17H20N4O2/c1-10-7-13-16(20-11(2)21-17(13)19-10)18-9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyHAHZXTRHODHGPT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430805) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430805
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc3[nH]c(C)cc23)cc1OC
InChIInChI=1S/C17H20N4O2/c1-10-7-13-16(20-11(2)21-17(13)19-10)18-9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyHAHZXTRHODHGPT-UHFFFAOYSA-N
XLogP3.20
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-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-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-nitroquinazolin-4-amine
CID 68516868
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 22640045
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
CID 11246986
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430805) is N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(C)nc3[nH]c(C)cc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HAHZXTRHODHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-7-13-16(20-11(2)21-17(13)19-10)18-9-12-5-6-14(22-3)15(8-12)23-4/h5-8H,9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 312.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).