5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C8H14N4O3 — CID 136976247

IUPAC5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)(CO)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-8(15,3-13)2-10-6-5(9)7(14)12-4-11-6/h4,13,15H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyLRWBMYKPRVPKRW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.49
Rot. Bonds4

About 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976247) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976247
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)(CO)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-8(15,3-13)2-10-6-5(9)7(14)12-4-11-6/h4,13,15H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyLRWBMYKPRVPKRW-UHFFFAOYSA-N
XLogP-1.49
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843233
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136976247) is 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(O)(CO)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LRWBMYKPRVPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-8(15,3-13)2-10-6-5(9)7(14)12-4-11-6/h4,13,15H,2-3,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -1.49, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).