7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H17N3O — CID 83883376

IUPAC7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2c(n1)CCC(N)C2
InChIInChI=1S/C11H17N3O/c1-7(2)9-5-11(15)14-6-8(12)3-4-10(14)13-9/h5,7-8H,3-4,6,12H2,1-2H3
InChIKeyHNQVQGYFBPLWIO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds1

About 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83883376) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83883376
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2c(n1)CCC(N)C2
InChIInChI=1S/C11H17N3O/c1-7(2)9-5-11(15)14-6-8(12)3-4-10(14)13-9/h5,7-8H,3-4,6,12H2,1-2H3
InChIKeyHNQVQGYFBPLWIO-UHFFFAOYSA-N
XLogP0.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide
CID 136145903
2-tert-Butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-methyl-4-(1-methylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 136483014

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83883376) is 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)c1cc(=O)n2c(n1)CCC(N)C2.
What is the InChIKey of 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HNQVQGYFBPLWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)9-5-11(15)14-6-8(12)3-4-10(14)13-9/h5,7-8H,3-4,6,12H2,1-2H3.
What are the key properties of 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83883376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).