5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one

C9H17N5O2 — CID 136979112

IUPAC5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCC(O)CNCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4,10H2,1H3,(H2,12,13,14,16)
InChIKeyRIQMWXDDWBBETP-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.27
Rot. Bonds6

About 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136979112) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID136979112
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCC(O)CNCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4,10H2,1H3,(H2,12,13,14,16)
InChIKeyRIQMWXDDWBBETP-UHFFFAOYSA-N
XLogP-1.27
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Lactoyl tetrahydropterin
CID 148549355
5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499
5-amino-2-(dimethylamino)-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136453504
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(2-hydroxypropyl)propanamide
CID 136477520
N-[4-(3-hydroxypentylamino)-5-(methylideneamino)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 137084782
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
CID 143725444
2-Amino-7-(2-hydroxypropyl)-1,9-dihydropurine-6,8-dione
CID 156392065
2,2-diethyl-9-(2-hydroxyethyl)-3,4-dihydro-1H-purine-6-carboxamide
CID 10015820

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one (CID 136979112) is 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one is CC(O)CNCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is RIQMWXDDWBBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(15)4-11-2-3-12-8-7(10)9(16)14-5-13-8/h5-6,11,15H,2-4,10H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of -1.27, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-hydroxypropylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).