5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine

C14H20ClN5 — CID 168990564

IUPAC5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.CNC
InChIInChI=1S/C12H13ClN4.C2H7N/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-3-2/h3-6H,2H2,1H3,(H4,14,15,16,17);3H,1-2H3
InChIKeyGPDWCHLKAMZCSG-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.36
Rot. Bonds2

About 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine (PubChem CID 168990564) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
PubChem CID168990564
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.CNC
InChIInChI=1S/C12H13ClN4.C2H7N/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-3-2/h3-6H,2H2,1H3,(H4,14,15,16,17);3H,1-2H3
InChIKeyGPDWCHLKAMZCSG-UHFFFAOYSA-N
XLogP2.36
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
4-aminobenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 70020180
5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
CID 24670027
5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
CID 134112066
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883
5-[2-(4-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11417648
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
methyl 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoate
CID 24670032
5-[4-chloro-3-(cyclopentylamino)phenyl]-6-ethylpyrimidine-2,4-diamine;trihydrochloride
CID 134124738
(1S)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-phenylethanol
CID 25331771
5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160819365

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine?
The IUPAC name of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine (CID 168990564) is 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine is CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.CNC.
What is the InChIKey of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine?
The InChIKey is GPDWCHLKAMZCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4.C2H7N/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-3-2/h3-6H,2H2,1H3,(H4,14,15,16,17);3H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine?
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine is sourced from PubChem (CID 168990564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).