5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C11H19ClN4 — CID 80774761

IUPAC5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CC(C)C)c1nc(NC)ncc1Cl
InChIInChI=1S/C11H19ClN4/c1-5-16(7-8(2)3)10-9(12)6-14-11(13-4)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyFBDKWFZYBRFRJA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.65
Rot. Bonds5

About 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 80774761) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID80774761
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CC(C)C)c1nc(NC)ncc1Cl
InChIInChI=1S/C11H19ClN4/c1-5-16(7-8(2)3)10-9(12)6-14-11(13-4)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyFBDKWFZYBRFRJA-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80901823
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80816956
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 80774761) is 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CCN(CC(C)C)c1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is FBDKWFZYBRFRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-5-16(7-8(2)3)10-9(12)6-14-11(13-4)15-10/h6,8H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80774761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).