5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione

C15H18ClN3O2 — CID 121412410

IUPAC5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(Cl)c(CC(N)c2ccccc2)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-9(2)19-14(20)11(13(16)18-15(19)21)8-12(17)10-6-4-3-5-7-10/h3-7,9,12H,8,17H2,1-2H3,(H,18,21)
InChIKeyMSKHMYPKTCXXNP-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.01
Rot. Bonds4

About 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione

5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 121412410) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID121412410
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(Cl)c(CC(N)c2ccccc2)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-9(2)19-14(20)11(13(16)18-15(19)21)8-12(17)10-6-4-3-5-7-10/h3-7,9,12H,8,17H2,1-2H3,(H,18,21)
InChIKeyMSKHMYPKTCXXNP-UHFFFAOYSA-N
XLogP2.01
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
CID 113404314
5-(3-bromophenyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 113404386
4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
CID 107410015
3-(1-amino-1-phenylpropan-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64634916
9-benzyl-8-methyl-1-propan-2-yl-3H-purine-2,6-dione
CID 10614021
5-chloro-6-(chloromethyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 154117709
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
CID 114760507
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 121412410) is 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c(Cl)c(CC(N)c2ccccc2)c1=O.
What is the InChIKey of 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is MSKHMYPKTCXXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(2)19-14(20)11(13(16)18-15(19)21)8-12(17)10-6-4-3-5-7-10/h3-7,9,12H,8,17H2,1-2H3,(H,18,21).
What are the key properties of 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione?
5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 307.78 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121412410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).