N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C14H23N3O4 — CID 135998949

IUPACN-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-8(2)12-15-9(3)11(13(19)16-12)14(20)17(4)6-10(18)7-21-5/h8,10,18H,6-7H2,1-5H3,(H,15,16,19)
InChIKeyIZIRFCFWFLFAJM-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.28
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 135998949) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID135998949
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-8(2)12-15-9(3)11(13(19)16-12)14(20)17(4)6-10(18)7-21-5/h8,10,18H,6-7H2,1-5H3,(H,15,16,19)
InChIKeyIZIRFCFWFLFAJM-UHFFFAOYSA-N
XLogP0.28
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 135998949) is N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is COCC(O)CN(C)C(=O)c1c(C)nc(C(C)C)[nH]c1=O.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is IZIRFCFWFLFAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8(2)12-15-9(3)11(13(19)16-12)14(20)17(4)6-10(18)7-21-5/h8,10,18H,6-7H2,1-5H3,(H,15,16,19).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 135998949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).