5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one

C10H18N4O3 — CID 137011801

IUPAC5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-10(16,3-4-17-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyHNDNAGDRUXPUGQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.45
Rot. Bonds6

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

5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 137011801) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID137011801
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-10(16,3-4-17-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyHNDNAGDRUXPUGQ-UHFFFAOYSA-N
XLogP-0.45
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (CID 137011801) is 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HNDNAGDRUXPUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(16,3-4-17-2)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137011801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).