5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136979773

IUPAC5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-4-14(5-10(2,3)16)8-7(11)9(15)13-6-12-8/h6,16H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyNUZLLBONQBLVBN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds4

About 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979773) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136979773
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC(C)(C)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-4-14(5-10(2,3)16)8-7(11)9(15)13-6-12-8/h6,16H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyNUZLLBONQBLVBN-UHFFFAOYSA-N
XLogP-0.05
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136978684
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 106812063
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136979773) is 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CCN(CC(C)(C)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NUZLLBONQBLVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-14(5-10(2,3)16)8-7(11)9(15)13-6-12-8/h6,16H,4-5,11H2,1-3H3,(H,12,13,15).
What are the key properties of 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).