N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

C13H15N5O2S — CID 136662064

IUPACN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C13H15N5O2S/c1-8-17-10(5-11(19)18-8)3-4-14-12(20)9-6-15-13(21-2)16-7-9/h5-7H,3-4H2,1-2H3,(H,14,20)(H,17,18,19)
InChIKeyKAHRRHCJKDKEQN-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.56
Rot. Bonds5

About N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 136662064) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID136662064
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C13H15N5O2S/c1-8-17-10(5-11(19)18-8)3-4-14-12(20)9-6-15-13(21-2)16-7-9/h5-7H,3-4H2,1-2H3,(H,14,20)(H,17,18,19)
InChIKeyKAHRRHCJKDKEQN-UHFFFAOYSA-N
XLogP0.56
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,4-trifluoro-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]butanamide
CID 136662312
2-[2-[2-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]ethoxy]ethoxy]acetic acid
CID 170283260
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 136821254
4-(2-hydroxyethylsulfanyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 136662518
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
CID 136956188
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136737625
(4S)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 136696860
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 136662064) is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cn1.
What is the InChIKey of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is KAHRRHCJKDKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-17-10(5-11(19)18-8)3-4-14-12(20)9-6-15-13(21-2)16-7-9/h5-7H,3-4H2,1-2H3,(H,14,20)(H,17,18,19).
What are the key properties of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 136662064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).