2-chloro-4-phenyl-1,4-dihydropyrimidine

C10H9ClN2 — CID 130012529

IUPAC2-chloro-4-phenyl-1,4-dihydropyrimidine
SMILESClC1=NC(c2ccccc2)C=CN1
InChIInChI=1S/C10H9ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,9H,(H,12,13)
InChIKeyPYVODSFUKZODSR-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.44
Rot. Bonds1

About 2-chloro-4-phenyl-1,4-dihydropyrimidine

2-chloro-4-phenyl-1,4-dihydropyrimidine (PubChem CID 130012529) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenyl-1,4-dihydropyrimidine
PubChem CID130012529
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name2-chloro-4-phenyl-1,4-dihydropyrimidine
SMILESClC1=NC(c2ccccc2)C=CN1
InChIInChI=1S/C10H9ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,9H,(H,12,13)
InChIKeyPYVODSFUKZODSR-UHFFFAOYSA-N
XLogP2.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Benzylguanidine hydrochloride
CID 11240874
Benzylbiguanide hydrochloride
CID 85468707
(N'-benzylcarbamimidamido)(imino)methanaminium
CID 40474545
6-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 13034515
Guanidine, 1-(diphenylmethyl)-, hydrochloride, hydrate
CID 135804025
4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
4-Benzyl-2,5,6-trichloro-1,4-dihydropyrimidine
CID 134892278
Guanidine, (1-phenylethyl)-, (+)-
CID 228028
Phenylathyldiguanid
CID 416067
2-Phenyldihydropyridine
CID 12229543
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
4-Phenyltetrahydropyrimidine
CID 67582497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 2-chloro-4-phenyl-1,4-dihydropyrimidine (CID 130012529) is 2-chloro-4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-chloro-4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-chloro-4-phenyl-1,4-dihydropyrimidine is ClC1=NC(c2ccccc2)C=CN1.
What is the InChIKey of 2-chloro-4-phenyl-1,4-dihydropyrimidine?
The InChIKey is PYVODSFUKZODSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,9H,(H,12,13).
What are the key properties of 2-chloro-4-phenyl-1,4-dihydropyrimidine?
2-chloro-4-phenyl-1,4-dihydropyrimidine has a molecular weight of 192.65 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 130012529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).