4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80943728

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-4-7-15-19-14(18)10-16(20-15)21(3)11(2)12-8-5-6-9-13(12)17/h5-6,8-11H,4,7H2,1-3H3,(H2,18,19,20)
InChIKeyVVHRIOUAEUXBJG-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.86
Rot. Bonds5

About 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80943728) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80943728
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-4-7-15-19-14(18)10-16(20-15)21(3)11(2)12-8-5-6-9-13(12)17/h5-6,8-11H,4,7H2,1-3H3,(H2,18,19,20)
InChIKeyVVHRIOUAEUXBJG-UHFFFAOYSA-N
XLogP3.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80943728) is 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)C(C)c2ccccc2Cl)n1.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is VVHRIOUAEUXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-7-15-19-14(18)10-16(20-15)21(3)11(2)12-8-5-6-9-13(12)17/h5-6,8-11H,4,7H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 304.82 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80943728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).