2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine

C16H16N6O2 — CID 70900911

IUPAC2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(-c3cncnc3)c(N)n2)cc(OC)c1
InChIInChI=1S/C16H16N6O2/c1-23-12-3-11(4-13(5-12)24-2)21-16-20-8-14(15(17)22-16)10-6-18-9-19-7-10/h3-9H,1-2H3,(H3,17,20,21,22)
InChIKeyKQVFWWDSQOEIOG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.28
Rot. Bonds5

About 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine

2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine (PubChem CID 70900911) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
PubChem CID70900911
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(-c3cncnc3)c(N)n2)cc(OC)c1
InChIInChI=1S/C16H16N6O2/c1-23-12-3-11(4-13(5-12)24-2)21-16-20-8-14(15(17)22-16)10-6-18-9-19-7-10/h3-9H,1-2H3,(H3,17,20,21,22)
InChIKeyKQVFWWDSQOEIOG-UHFFFAOYSA-N
XLogP2.28
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine (CID 70900911) is 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine is COc1cc(Nc2ncc(-c3cncnc3)c(N)n2)cc(OC)c1.
What is the InChIKey of 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The InChIKey is KQVFWWDSQOEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-23-12-3-11(4-13(5-12)24-2)21-16-20-8-14(15(17)22-16)10-6-18-9-19-7-10/h3-9H,1-2H3,(H3,17,20,21,22).
What are the key properties of 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine has a molecular weight of 324.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 70900911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).