6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one

C10H19N3O — CID 164758401

IUPAC6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one
SMILESCC(C)C1=CN(C(C)C)C(=O)NC1N
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,9H,11H2,1-4H3,(H,12,14)
InChIKeyOCBMLDNBVXTWKE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.24
Rot. Bonds2

About 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one

6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one (PubChem CID 164758401) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one
PubChem CID164758401
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one
SMILESCC(C)C1=CN(C(C)C)C(=O)NC1N
InChIInChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,9H,11H2,1-4H3,(H,12,14)
InChIKeyOCBMLDNBVXTWKE-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one (CID 164758401) is 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one is CC(C)C1=CN(C(C)C)C(=O)NC1N.
What is the InChIKey of 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one?
The InChIKey is OCBMLDNBVXTWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)8-5-13(7(3)4)10(14)12-9(8)11/h5-7,9H,11H2,1-4H3,(H,12,14).
What are the key properties of 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one?
6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-di(propan-2-yl)-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 164758401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).