5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine

C14H16N4O — CID 174851736

IUPAC5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)c2C2CC2)cc1
InChIInChI=1S/C14H16N4O/c1-19-10-6-4-9(5-7-10)12-11(8-2-3-8)13(15)18-14(16)17-12/h4-8H,2-3H2,1H3,(H4,15,16,17,18)
InChIKeyYTMCKFSWFNBGNV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.19
Rot. Bonds3

About 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine

5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 174851736) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID174851736
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)c2C2CC2)cc1
InChIInChI=1S/C14H16N4O/c1-19-10-6-4-9(5-7-10)12-11(8-2-3-8)13(15)18-14(16)17-12/h4-8H,2-3H2,1H3,(H4,15,16,17,18)
InChIKeyYTMCKFSWFNBGNV-UHFFFAOYSA-N
XLogP2.19
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 174851736) is 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(-c2nc(N)nc(N)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is YTMCKFSWFNBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-10-6-4-9(5-7-10)12-11(8-2-3-8)13(15)18-14(16)17-12/h4-8H,2-3H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174851736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).