3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione

C23H24FN3O2 — CID 11329628

IUPAC3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1
InChIInChI=1S/C23H24FN3O2/c1-15-21(18-9-5-6-10-19(18)24)22(28)27(23(29)26(15)13-16-11-12-16)14-20(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14,25H2,1H3/t20-/m0/s1
InChIKeyUSIVLCULIVXHKY-FQEVSTJZSA-N
MW393.46 g/mol
LogP3.23
Rot. Bonds6

About 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione

3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione (PubChem CID 11329628) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
PubChem CID11329628
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1
InChIInChI=1S/C23H24FN3O2/c1-15-21(18-9-5-6-10-19(18)24)22(28)27(23(29)26(15)13-16-11-12-16)14-20(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14,25H2,1H3/t20-/m0/s1
InChIKeyUSIVLCULIVXHKY-FQEVSTJZSA-N
XLogP3.23
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione (CID 11329628) is 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione is Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1.
What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is USIVLCULIVXHKY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-21(18-9-5-6-10-19(18)24)22(28)27(23(29)26(15)13-16-11-12-16)14-20(25)17-7-3-2-4-8-17/h2-10,16,20H,11-14,25H2,1H3/t20-/m0/s1.
What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 393.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-amino-2-phenylethyl]-1-(cyclopropylmethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11329628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).