6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine

C18H26N4 — CID 112864498

IUPAC6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C18H26N4/c1-5-10-22(11-6-2)18-12-17(19-13-20-18)21-16-9-7-8-14(3)15(16)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,20,21)
InChIKeyJYZCBCSPKIFTQV-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.46
Rot. Bonds7

About 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112864498) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112864498
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C18H26N4/c1-5-10-22(11-6-2)18-12-17(19-13-20-18)21-16-9-7-8-14(3)15(16)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,20,21)
InChIKeyJYZCBCSPKIFTQV-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

6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112864554
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864526
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
methyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]benzoate
CID 112864531
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
N-(2,3-dimethylphenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161803

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112864498) is 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(Nc2cccc(C)c2C)ncn1.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is JYZCBCSPKIFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-10-22(11-6-2)18-12-17(19-13-20-18)21-16-9-7-8-14(3)15(16)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,19,20,21).
What are the key properties of 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-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 6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).