N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine

C21H24N6O — CID 56748311

IUPACN-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2Cc3cnc(Cc4ccc(OC)cc4)nc3C2)ncn1
InChIInChI=1S/C21H24N6O/c1-4-26(2)20-10-21(24-14-23-20)27-12-16-11-22-19(25-18(16)13-27)9-15-5-7-17(28-3)8-6-15/h5-8,10-11,14H,4,9,12-13H2,1-3H3
InChIKeyGDUJYHMMRSRHGI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine

N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine (PubChem CID 56748311) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine
PubChem CID56748311
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2Cc3cnc(Cc4ccc(OC)cc4)nc3C2)ncn1
InChIInChI=1S/C21H24N6O/c1-4-26(2)20-10-21(24-14-23-20)27-12-16-11-22-19(25-18(16)13-27)9-15-5-7-17(28-3)8-6-15/h5-8,10-11,14H,4,9,12-13H2,1-3H3
InChIKeyGDUJYHMMRSRHGI-UHFFFAOYSA-N
XLogP2.84
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine (CID 56748311) is N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine is CCN(C)c1cc(N2Cc3cnc(Cc4ccc(OC)cc4)nc3C2)ncn1.
What is the InChIKey of N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine?
The InChIKey is GDUJYHMMRSRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-4-26(2)20-10-21(24-14-23-20)27-12-16-11-22-19(25-18(16)13-27)9-15-5-7-17(28-3)8-6-15/h5-8,10-11,14H,4,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine?
N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 56748311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).