4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

C18H26N4 — CID 112901279

IUPAC4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C18H26N4/c1-5-11-22(12-6-2)18-19-10-9-17(21-18)20-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21)
InChIKeyKEBCNKURIDPXAP-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.46
Rot. Bonds7

About 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901279) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901279
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C18H26N4/c1-5-11-22(12-6-2)18-19-10-9-17(21-18)20-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21)
InChIKeyKEBCNKURIDPXAP-UHFFFAOYSA-N
XLogP4.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901298
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901361
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960826
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112882540
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-N-(2,5-dimethylphenyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902505
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112901279) is 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nccc(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is KEBCNKURIDPXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-11-22(12-6-2)18-19-10-9-17(21-18)20-16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).