5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one

C14H22N4O — CID 135568291

IUPAC5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CC2CC(C)(CN2c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C14H22N4O/c1-13(2)4-9-5-14(3,6-13)7-18(9)11-10(15)12(19)17-8-16-11/h8-9H,4-7,15H2,1-3H3,(H,16,17,19)
InChIKeyKHJBTVTXYWRDLY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.76
Rot. Bonds1

About 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one

5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one (PubChem CID 135568291) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one
PubChem CID135568291
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CC2CC(C)(CN2c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C14H22N4O/c1-13(2)4-9-5-14(3,6-13)7-18(9)11-10(15)12(19)17-8-16-11/h8-9H,4-7,15H2,1-3H3,(H,16,17,19)
InChIKeyKHJBTVTXYWRDLY-UHFFFAOYSA-N
XLogP1.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one (CID 135568291) is 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one is CC1(C)CC2CC(C)(CN2c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one?
The InChIKey is KHJBTVTXYWRDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-13(2)4-9-5-14(3,6-13)7-18(9)11-10(15)12(19)17-8-16-11/h8-9H,4-7,15H2,1-3H3,(H,16,17,19).
What are the key properties of 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one?
5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135568291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).