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

C16H18N4O2 — CID 164985861

IUPACN-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(OC)c1CNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O2/c1-10-7-11-15(18-9-19-16(11)20-10)17-8-12-13(21-2)5-4-6-14(12)22-3/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyVIZFONHELMOUNV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.90
Rot. Bonds5

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

N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164985861) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164985861
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(OC)c1CNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O2/c1-10-7-11-15(18-9-19-16(11)20-10)17-8-12-13(21-2)5-4-6-14(12)22-3/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyVIZFONHELMOUNV-UHFFFAOYSA-N
XLogP2.90
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
6-methyl-N-(2-propoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430525
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
4-[[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 110430514
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430946
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103292863
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164985861) is N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(OC)c1CNc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VIZFONHELMOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-7-11-15(18-9-19-16(11)20-10)17-8-12-13(21-2)5-4-6-14(12)22-3/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164985861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).