5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C14H14ClFN4O4 — CID 71767979

IUPAC5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESC[C@H](COc1ccc(Cl)c(F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C14H14ClFN4O4/c1-6(5-24-7-2-3-8(15)9(16)4-7)18-13(22)11-10(17)12(21)20-14(23)19-11/h2-4,6H,5,17H2,1H3,(H,18,22)(H2,19,20,21,23)/t6-/m1/s1
InChIKeyFXIWCQQWDPNNGZ-ZCFIWIBFSA-N
MW356.74 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 71767979) has the molecular formula C14H14ClFN4O4 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID71767979
Molecular FormulaC14H14ClFN4O4
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC Name5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESC[C@H](COc1ccc(Cl)c(F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C14H14ClFN4O4/c1-6(5-24-7-2-3-8(15)9(16)4-7)18-13(22)11-10(17)12(21)20-14(23)19-11/h2-4,6H,5,17H2,1H3,(H,18,22)(H2,19,20,21,23)/t6-/m1/s1
InChIKeyFXIWCQQWDPNNGZ-ZCFIWIBFSA-N
XLogP0.64
TPSA130.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 71767979) is 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is C[C@H](COc1ccc(Cl)c(F)c1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is FXIWCQQWDPNNGZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H14ClFN4O4/c1-6(5-24-7-2-3-8(15)9(16)4-7)18-13(22)11-10(17)12(21)20-14(23)19-11/h2-4,6H,5,17H2,1H3,(H,18,22)(H2,19,20,21,23)/t6-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 71767979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).