N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4O — CID 110430533

IUPACN-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(C)nc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-9-5-6-14(21-4)13(7-9)20-16-12-8-10(2)17-15(12)18-11(3)19-16/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyCAEYYUHHVDZFGS-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.64
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430533) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430533
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(C)nc2[nH]c(C)cc12
InChIInChI=1S/C16H18N4O/c1-9-5-6-14(21-4)13(7-9)20-16-12-8-10(2)17-15(12)18-11(3)19-16/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyCAEYYUHHVDZFGS-UHFFFAOYSA-N
XLogP3.64
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid
CID 110430640
N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide
CID 110430765
4-methyl-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430911
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
3,5-dichloro-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320
4-N-(2-methoxy-5-methylphenyl)-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23480408
2-hydrazinyl-N-(2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334767

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430533) is N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(C)cc1Nc1nc(C)nc2[nH]c(C)cc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CAEYYUHHVDZFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-5-6-14(21-4)13(7-9)20-16-12-8-10(2)17-15(12)18-11(3)19-16/h5-8H,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).