5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 136979827

IUPAC5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-2-13(4-3-5-14)8-7(10)9(15)12-6-11-8/h6,14H,2-5,10H2,1H3,(H,11,12,15)
InChIKeySOANSANYMSGYLC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds5

About 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979827) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
PubChem CID136979827
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-2-13(4-3-5-14)8-7(10)9(15)12-6-11-8/h6,14H,2-5,10H2,1H3,(H,11,12,15)
InChIKeySOANSANYMSGYLC-UHFFFAOYSA-N
XLogP-0.44
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849682
2,5-Diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 21415604
2-amino-9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136334490
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
2,2-diethyl-9-(3-hydroxypropyl)-3,4-dihydro-1H-purine-6-carboxamide
CID 10039374
9-(3-hydroxypropyl)-2,2-dimethyl-3,4-dihydro-1H-purine-6-carboxamide
CID 10444979
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135568290
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one (CID 136979827) is 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one is CCN(CCCO)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SOANSANYMSGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-13(4-3-5-14)8-7(10)9(15)12-6-11-8/h6,14H,2-5,10H2,1H3,(H,11,12,15).
What are the key properties of 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethyl(3-hydroxypropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).