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

C16H21ClN4 — CID 112901298

IUPAC4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4/c1-3-11-21(12-4-2)16-18-10-9-15(20-16)19-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,20)
InChIKeyYRZLWADVBOXMCH-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.50
Rot. Bonds7

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

4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901298) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901298
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN4/c1-3-11-21(12-4-2)16-18-10-9-15(20-16)19-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,20)
InChIKeyYRZLWADVBOXMCH-UHFFFAOYSA-N
XLogP4.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901361
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901279
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112882540
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960946
4-N-[7-(2,6-dichlorophenyl)isoquinolin-3-yl]-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 129170208
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
CID 91441465
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-ethyl-N,N-dipropylpyrimidin-2-amine
CID 71106821

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112901298) is 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nccc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is YRZLWADVBOXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-11-21(12-4-2)16-18-10-9-15(20-16)19-14-7-5-13(17)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).