N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

C8H11N3O2 — CID 130849099

IUPACN-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O2/c1-6(4-12)11-8(13)7-2-3-9-5-10-7/h2-3,5-6,12H,4H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyLHQGHJZFSNMXGL-ZCFIWIBFSA-N
MW181.19 g/mol
LogP-0.41
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 130849099) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
PubChem CID130849099
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccncn1
InChIInChI=1S/C8H11N3O2/c1-6(4-12)11-8(13)7-2-3-9-5-10-7/h2-3,5-6,12H,4H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyLHQGHJZFSNMXGL-ZCFIWIBFSA-N
XLogP-0.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 130849099) is N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1ccncn1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is LHQGHJZFSNMXGL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(4-12)11-8(13)7-2-3-9-5-10-7/h2-3,5-6,12H,4H2,1H3,(H,11,13)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 130849099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).