4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine

C14H17ClN4O — CID 121475858

IUPAC4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-9-8-17-14(16-2)18-13(9)19(3)10-5-6-11(15)12(7-10)20-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyQSSJEICCHTVRGH-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.26
Rot. Bonds4

About 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine

4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 121475858) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID121475858
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-9-8-17-14(16-2)18-13(9)19(3)10-5-6-11(15)12(7-10)20-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyQSSJEICCHTVRGH-UHFFFAOYSA-N
XLogP3.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 121475858) is 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)c2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is QSSJEICCHTVRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-8-17-14(16-2)18-13(9)19(3)10-5-6-11(15)12(7-10)20-4/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 121475858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).