[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid

C8H11N3O3 — CID 175388361

IUPAC[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CCCO)nc1
InChIInChI=1S/C8H11N3O3/c12-3-1-2-7-9-4-6(5-10-7)11-8(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyQRIBBHWZELZUFN-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.49
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid

[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid (PubChem CID 175388361) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid
PubChem CID175388361
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CCCO)nc1
InChIInChI=1S/C8H11N3O3/c12-3-1-2-7-9-4-6(5-10-7)11-8(13)14/h4-5,11-12H,1-3H2,(H,13,14)
InChIKeyQRIBBHWZELZUFN-UHFFFAOYSA-N
XLogP0.49
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
[6-(aminomethyl)-3-pyridinyl]carbamic acid
CID 118212846
[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid
CID 118497438
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255
2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
[4-(5-hydroxypent-1-ynyl)phenyl]carbamic acid
CID 22678091
(6-ethynyl-3-pyridinyl)carbamic acid
CID 87204511
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid?
The IUPAC name of [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid (CID 175388361) is [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid?
The canonical SMILES for [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid is O=C(O)Nc1cnc(CCCO)nc1.
What is the InChIKey of [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid?
The InChIKey is QRIBBHWZELZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-3-1-2-7-9-4-6(5-10-7)11-8(13)14/h4-5,11-12H,1-3H2,(H,13,14).
What are the key properties of [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid?
[2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid has a molecular weight of 197.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrimidin-5-yl]carbamic acid is sourced from PubChem (CID 175388361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).