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

C25H27N5O3 — CID 58060404

IUPACN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(Cc2nc3c(c(N4CCOCC4)n2)N=C(Nc2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C25H27N5O3/c1-31-19-7-3-17(4-8-19)15-22-27-21-16-23(26-18-5-9-20(32-2)10-6-18)28-24(21)25(29-22)30-11-13-33-14-12-30/h3-10H,11-16H2,1-2H3,(H,26,28)
InChIKeyDKYFKVZPCGIXFT-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.62
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 58060404) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID58060404
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(Cc2nc3c(c(N4CCOCC4)n2)N=C(Nc2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C25H27N5O3/c1-31-19-7-3-17(4-8-19)15-22-27-21-16-23(26-18-5-9-20(32-2)10-6-18)28-24(21)25(29-22)30-11-13-33-14-12-30/h3-10H,11-16H2,1-2H3,(H,26,28)
InChIKeyDKYFKVZPCGIXFT-UHFFFAOYSA-N
XLogP3.62
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 58060404) is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(Cc2nc3c(c(N4CCOCC4)n2)N=C(Nc2ccc(OC)cc2)C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is DKYFKVZPCGIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-31-19-7-3-17(4-8-19)15-22-27-21-16-23(26-18-5-9-20(32-2)10-6-18)28-24(21)25(29-22)30-11-13-33-14-12-30/h3-10H,11-16H2,1-2H3,(H,26,28).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 445.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 58060404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).