6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

C19H28N4 — CID 112876654

IUPAC6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(CC)cc2)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-12-23(13-6-2)19-14-18(20-15(4)21-19)22-17-10-8-16(7-3)9-11-17/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyMNSKLWBLOJQBAU-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.72
Rot. Bonds8

About 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112876654) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112876654
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(CC)cc2)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-12-23(13-6-2)19-14-18(20-15(4)21-19)22-17-10-8-16(7-3)9-11-17/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22)
InChIKeyMNSKLWBLOJQBAU-UHFFFAOYSA-N
XLogP4.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
6-N-(3-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876693
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-ethylbenzenesulfonamide
CID 122296687
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112876701
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112876654) is 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(Nc2ccc(CC)cc2)nc(C)n1.
What is the InChIKey of 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is MNSKLWBLOJQBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-12-23(13-6-2)19-14-18(20-15(4)21-19)22-17-10-8-16(7-3)9-11-17/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).