5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136979571

IUPAC5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(CCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)14(4-3-5-15)9-8(11)10(16)13-6-12-9/h6-7,15H,3-5,11H2,1-2H3,(H,12,13,16)
InChIKeyCSIXVJAINLUQMN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds5

About 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136979571) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136979571
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(CCCO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)14(4-3-5-15)9-8(11)10(16)13-6-12-9/h6-7,15H,3-5,11H2,1-2H3,(H,12,13,16)
InChIKeyCSIXVJAINLUQMN-UHFFFAOYSA-N
XLogP-0.05
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
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
9-(3-hydroxypropyl)-7,8-dihydro-1H-purin-6-one
CID 136355147
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
CID 143725444
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-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
2-amino-6-(hydroxymethyl)-8-methyl-4-oxo-6,7-dihydro-3H-pteridine-5-carbaldehyde
CID 136314919
5-acetyl-2-amino-6-(hydroxymethyl)-8-methyl-6,7-dihydro-3H-pteridin-4-one
CID 136315052
5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752200
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 136979571) is 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)N(CCCO)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is CSIXVJAINLUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)14(4-3-5-15)9-8(11)10(16)13-6-12-9/h6-7,15H,3-5,11H2,1-2H3,(H,12,13,16).
What are the key properties of 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).