N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H14Cl2N4O3 — CID 70736442

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C(N)=O
InChIInChI=1S/C15H14Cl2N4O3/c1-7(13(18)22)20-14(23)9-6-19-12(21-15(9)24)5-8-10(16)3-2-4-11(8)17/h2-4,6-7H,5H2,1H3,(H2,18,22)(H,20,23)(H,19,21,24)/t7-/m0/s1
InChIKeyDRXIOKNCQNNMIQ-ZETCQYMHSA-N
MW369.21 g/mol
LogP1.27
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70736442) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70736442
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C(N)=O
InChIInChI=1S/C15H14Cl2N4O3/c1-7(13(18)22)20-14(23)9-6-19-12(21-15(9)24)5-8-10(16)3-2-4-11(8)17/h2-4,6-7H,5H2,1H3,(H2,18,22)(H,20,23)(H,19,21,24)/t7-/m0/s1
InChIKeyDRXIOKNCQNNMIQ-ZETCQYMHSA-N
XLogP1.27
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70736442) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is C[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DRXIOKNCQNNMIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-7(13(18)22)20-14(23)9-6-19-12(21-15(9)24)5-8-10(16)3-2-4-11(8)17/h2-4,6-7H,5H2,1H3,(H2,18,22)(H,20,23)(H,19,21,24)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70736442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).