sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate

C10H18N3NaO2 — CID 160661140

IUPACsodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate
SMILESCC(C)Cc1nc(N)cc(=O)[nH]1.CC[O-].[Na+]
InChIInChI=1S/C8H13N3O.C2H5O.Na/c1-5(2)3-7-10-6(9)4-8(12)11-7;1-2-3;/h4-5H,3H2,1-2H3,(H3,9,10,11,12);2H2,1H3;/q;-1;+1
InChIKeyRLROATJGHOQGFI-UHFFFAOYSA-N
MW235.26 g/mol
LogP-3.08
Rot. Bonds2

About sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate

sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate (PubChem CID 160661140) has the molecular formula C10H18N3NaO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate.

Molecular Properties

Compound Namesodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate
PubChem CID160661140
Molecular FormulaC10H18N3NaO2
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Namesodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate
SMILESCC(C)Cc1nc(N)cc(=O)[nH]1.CC[O-].[Na+]
InChIInChI=1S/C8H13N3O.C2H5O.Na/c1-5(2)3-7-10-6(9)4-8(12)11-7;1-2-3;/h4-5H,3H2,1-2H3,(H3,9,10,11,12);2H2,1H3;/q;-1;+1
InChIKeyRLROATJGHOQGFI-UHFFFAOYSA-N
XLogP-3.08
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-3.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
2-(Butan-2-yl)-6-hydroxypyrimidin-4(3H)-one
CID 12320326
6-Hydroxy-2-isobutylpyrimidin-4(3H)-one
CID 12320327
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
6-Amino-2-isopropylpyrimidin-4-ol
CID 135596634
6-Amino-2-isobutylpyrimidin-4-ol
CID 135596635
4-amino-2-(2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136159094
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 157105506
CID 157939666
CID 157939666

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate?
The IUPAC name of sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate (CID 160661140) is sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate.
What is the SMILES notation for sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate?
The canonical SMILES for sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate is CC(C)Cc1nc(N)cc(=O)[nH]1.CC[O-].[Na+].
What is the InChIKey of sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate?
The InChIKey is RLROATJGHOQGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H5O.Na/c1-5(2)3-7-10-6(9)4-8(12)11-7;1-2-3;/h4-5H,3H2,1-2H3,(H3,9,10,11,12);2H2,1H3;/q;-1;+1.
What are the key properties of sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate?
sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate has a molecular weight of 235.26 g/mol, XLogP of -3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-2-(2-methylpropyl)-1H-pyrimidin-6-one;ethanolate is sourced from PubChem (CID 160661140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).