4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

C14H17ClN4O — CID 107623592

IUPAC4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2ncnc(N)c2C(C)C)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H3,16,17,18,19)
InChIKeyGFYZNSUJHSYXNG-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.59
Rot. Bonds4

About 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107623592) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107623592
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2ncnc(N)c2C(C)C)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H3,16,17,18,19)
InChIKeyGFYZNSUJHSYXNG-UHFFFAOYSA-N
XLogP3.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693
N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 82859794
4-N-naphthalen-2-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80793631
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
4-N-(3-bromo-5-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580991
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412675

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 107623592) is 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is COc1cc(Nc2ncnc(N)c2C(C)C)ccc1Cl.
What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GFYZNSUJHSYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107623592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).