4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136956770

IUPAC4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(6-15-2)13-9-5-10(14)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyMZQZKTZJWSGIEP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds6

About 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956770) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956770
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(6-15-2)13-9-5-10(14)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyMZQZKTZJWSGIEP-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (CID 136956770) is 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(COC)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MZQZKTZJWSGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-8(6-15-2)13-9-5-10(14)12-7-11-9/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).