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

C15H18N4O4 — CID 118580361

IUPAC5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1
InChIInChI=1S/C15H18N4O4/c1-8-3-5-10(6-4-8)23-7-9(2)17-14(21)12-11(16)13(20)19-15(22)18-12/h3-6,9H,7,16H2,1-2H3,(H,17,21)(H2,18,19,20,22)/t9-/m1/s1
InChIKeyWHXUFMWMKRSRFY-SECBINFHSA-N
MW318.33 g/mol
LogP0.15
Rot. Bonds5

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

5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118580361) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118580361
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1
InChIInChI=1S/C15H18N4O4/c1-8-3-5-10(6-4-8)23-7-9(2)17-14(21)12-11(16)13(20)19-15(22)18-12/h3-6,9H,7,16H2,1-2H3,(H,17,21)(H2,18,19,20,22)/t9-/m1/s1
InChIKeyWHXUFMWMKRSRFY-SECBINFHSA-N
XLogP0.15
TPSA130.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580362
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
5-amino-N-[1-(3-fluoro-2-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574913
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 63103249
5-amino-N-[1-(3-chloro-2-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574882
5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574766
methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
CID 118574874
5-amino-N-[1-[2-chloro-4-(trifluoromethyl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574746
5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485948
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118580361) is 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WHXUFMWMKRSRFY-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8-3-5-10(6-4-8)23-7-9(2)17-14(21)12-11(16)13(20)19-15(22)18-12/h3-6,9H,7,16H2,1-2H3,(H,17,21)(H2,18,19,20,22)/t9-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.15, 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-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118580361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).