5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide

C8H11N3O2 — CID 142794865

IUPAC5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(O)c(C(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-4(2)8-10-3-5(12)6(11-8)7(9)13/h3-4,12H,1-2H3,(H2,9,13)
InChIKeyVUNZSTHLAMNIIT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds2

About 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide

5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 142794865) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID142794865
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(O)c(C(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-4(2)8-10-3-5(12)6(11-8)7(9)13/h3-4,12H,1-2H3,(H2,9,13)
InChIKeyVUNZSTHLAMNIIT-UHFFFAOYSA-N
XLogP0.40
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Azaspiro[3.4]octan-6-yl-(5-hydroxypyrimidin-4-yl)methanone
CID 155541347
5-Ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 140788027
6-amino-5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide
CID 20772970
5-Hydroxypyrimidine-4-carboxamide
CID 21883400
5-Methoxy-2-methylpyrimidine-4-carboxamide
CID 69619755
5-hydroxy-N-methyl-6-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyrimidine-4-carboxamide
CID 71190398
(5-Hydroxy-2-methylpyrimidin-4-yl)-piperazin-1-ylmethanone
CID 83890562
2-Chloro-5-methoxypyrimidine-4-carboxamide
CID 87885840
2,5-Dimethoxypyrimidine-4-carboxamide
CID 91212233
5-hydroxy-N,N-dimethylpyrimidine-4-carboxamide
CID 91460535
N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide
CID 138504984
5-methoxy-N,2-dimethylpyrimidine-4-carboxamide
CID 138517122

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide (CID 142794865) is 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(O)c(C(N)=O)n1.
What is the InChIKey of 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VUNZSTHLAMNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4(2)8-10-3-5(12)6(11-8)7(9)13/h3-4,12H,1-2H3,(H2,9,13).
What are the key properties of 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide?
5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 142794865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).