2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C16H22ClN5 — CID 44530797

IUPAC2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCN(C)C)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-12-11-15(22(4)10-9-21(2)3)20-16(18-12)19-14-7-5-13(17)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyOCSJFAFXWQBPAU-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.18
Rot. Bonds6

About 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 44530797) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID44530797
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCN(C)C)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-12-11-15(22(4)10-9-21(2)3)20-16(18-12)19-14-7-5-13(17)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyOCSJFAFXWQBPAU-UHFFFAOYSA-N
XLogP3.18
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 44530797) is 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)CCN(C)C)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is OCSJFAFXWQBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-12-11-15(22(4)10-9-21(2)3)20-16(18-12)19-14-7-5-13(17)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 44530797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).