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

C13H21N3O3 — CID 136864255

IUPAC2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(18,5-6-19-2)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyVKQKPKRZQXBVLX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.85
Rot. Bonds7

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

2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136864255) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136864255
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(18,5-6-19-2)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyVKQKPKRZQXBVLX-UHFFFAOYSA-N
XLogP0.85
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one (CID 136864255) is 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(O)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VKQKPKRZQXBVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(18,5-6-19-2)8-14-10-7-11(17)16-12(15-10)9-3-4-9/h7,9,18H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).