N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C14H18N4O3S — CID 56720410

IUPACN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)N(C)C
InChIInChI=1S/C14H18N4O3S/c1-8-4-5-22-12(8)10(18(2)3)7-15-13(20)9-6-11(19)17-14(21)16-9/h4-6,10H,7H2,1-3H3,(H,15,20)(H2,16,17,19,21)
InChIKeyQEULQJMZMLYMFQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 56720410) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID56720410
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccsc1C(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)N(C)C
InChIInChI=1S/C14H18N4O3S/c1-8-4-5-22-12(8)10(18(2)3)7-15-13(20)9-6-11(19)17-14(21)16-9/h4-6,10H,7H2,1-3H3,(H,15,20)(H2,16,17,19,21)
InChIKeyQEULQJMZMLYMFQ-UHFFFAOYSA-N
XLogP0.47
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 56720410) is N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccsc1C(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QEULQJMZMLYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8-4-5-22-12(8)10(18(2)3)7-15-13(20)9-6-11(19)17-14(21)16-9/h4-6,10H,7H2,1-3H3,(H,15,20)(H2,16,17,19,21).
What are the key properties of N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 56720410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).