N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide

C10H15N3O3 — CID 104629797

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
SMILESCOCC(CCO)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O3/c1-16-6-9(2-3-14)13-10(15)8-4-11-7-12-5-8/h4-5,7,9,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyHRQZHRAUNBJYEK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.40
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide (PubChem CID 104629797) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
PubChem CID104629797
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
SMILESCOCC(CCO)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O3/c1-16-6-9(2-3-14)13-10(15)8-4-11-7-12-5-8/h4-5,7,9,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyHRQZHRAUNBJYEK-UHFFFAOYSA-N
XLogP-0.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
(2R)-4-hydroxy-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 107823506
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
CID 106152027

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide (CID 104629797) is N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide is COCC(CCO)NC(=O)c1cncnc1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is HRQZHRAUNBJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-9(2-3-14)13-10(15)8-4-11-7-12-5-8/h4-5,7,9,14H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104629797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).