2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine

C17H24N4 — CID 112901166

IUPAC2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-4-12-21(13-5-2)16-10-11-18-17(20-16)19-15-8-6-14(3)7-9-15/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20)
InChIKeyHXYXEHRLRLMUTB-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.16
Rot. Bonds7

About 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901166) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901166
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-4-12-21(13-5-2)16-10-11-18-17(20-16)19-15-8-6-14(3)7-9-15/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20)
InChIKeyHXYXEHRLRLMUTB-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
2-N-(1,3-benzodioxol-5-yl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901239
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112926360
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901255
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112901166) is 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is HXYXEHRLRLMUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-12-21(13-5-2)16-10-11-18-17(20-16)19-15-8-6-14(3)7-9-15/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20).
What are the key properties of 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).