4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one

C9H15N3O — CID 83858524

IUPAC4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(CC(C)(C)N)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6-4-7(5-9(2,3)10)12-8(13)11-6/h4H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyCNMFMQZIDOLNJQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.36
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one

4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 83858524) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID83858524
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(CC(C)(C)N)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6-4-7(5-9(2,3)10)12-8(13)11-6/h4H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyCNMFMQZIDOLNJQ-UHFFFAOYSA-N
XLogP0.36
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one (CID 83858524) is 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(CC(C)(C)N)nc(=O)[nH]1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is CNMFMQZIDOLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-7(5-9(2,3)10)12-8(13)11-6/h4H,5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).