2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile

C18H15N5O — CID 169396055

IUPAC2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H15N5O/c19-10-14-16(22-18(21)23-17(14)20)13-8-4-5-9-15(13)24-11-12-6-2-1-3-7-12/h1-9H,11H2,(H4,20,21,22,23)
InChIKeyUELSGCPDAYXVSV-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.76
Rot. Bonds4

About 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 169396055) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
PubChem CID169396055
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H15N5O/c19-10-14-16(22-18(21)23-17(14)20)13-8-4-5-9-15(13)24-11-12-6-2-1-3-7-12/h1-9H,11H2,(H4,20,21,22,23)
InChIKeyUELSGCPDAYXVSV-UHFFFAOYSA-N
XLogP2.76
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile (CID 169396055) is 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is UELSGCPDAYXVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-10-14-16(22-18(21)23-17(14)20)13-8-4-5-9-15(13)24-11-12-6-2-1-3-7-12/h1-9H,11H2,(H4,20,21,22,23).
What are the key properties of 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).