5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine

C12H15ClN4 — CID 123992577

IUPAC5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine
SMILESCCC1=NC(N)N=C(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6,10,12H,2,15H2,1H3,(H2,14,17)
InChIKeyQUXDAOBUKYHHGP-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.89
Rot. Bonds2

About 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine

5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine (PubChem CID 123992577) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine
PubChem CID123992577
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine
SMILESCCC1=NC(N)N=C(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6,10,12H,2,15H2,1H3,(H2,14,17)
InChIKeyQUXDAOBUKYHHGP-UHFFFAOYSA-N
XLogP1.89
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine
CID 167627477
2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 102570405
(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 124746241
5-(4-chlorophenyl)-6-ethyl-2-imino-5H-pyrimidin-4-one
CID 165155709
3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine
CID 2948101
4-(4-chlorophenyl)-2,6-diethyl-4H-pyran-3,5-dicarboxylic acid
CID 67625793
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
CID 122217475
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
5-(4-chlorophenyl)-6-ethylpyridin-2-amine
CID 58709674

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine (CID 123992577) is 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine is CCC1=NC(N)N=C(N)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine?
The InChIKey is QUXDAOBUKYHHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6,10,12H,2,15H2,1H3,(H2,14,17).
What are the key properties of 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 123992577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).