5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one

C11H17N3O — CID 83883299

IUPAC5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(C(C)CN)c(=O)n1C1CC1
InChIInChI=1S/C11H17N3O/c1-7(5-12)10-6-13-8(2)14(11(10)15)9-3-4-9/h6-7,9H,3-5,12H2,1-2H3
InChIKeyAMJUCTBUIKHQNS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds3

About 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one

5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one (PubChem CID 83883299) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one
PubChem CID83883299
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(C(C)CN)c(=O)n1C1CC1
InChIInChI=1S/C11H17N3O/c1-7(5-12)10-6-13-8(2)14(11(10)15)9-3-4-9/h6-7,9H,3-5,12H2,1-2H3
InChIKeyAMJUCTBUIKHQNS-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342
2-Methyl-3,5-di(propan-2-yl)pyrimidin-4-one
CID 168412583
2,3-Diethyl-5-propan-2-ylpyrimidin-4-one
CID 177151244
5-{2-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 56869684
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304193
2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 82652716
5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 83851876
5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 83852039

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one (CID 83883299) is 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one is Cc1ncc(C(C)CN)c(=O)n1C1CC1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The InChIKey is AMJUCTBUIKHQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(5-12)10-6-13-8(2)14(11(10)15)9-3-4-9/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one?
5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 83883299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).