4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine

C18H30N6O — CID 72897316

IUPAC4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCN(C3CN4CCC3CC4)CC2)nc(N)n1
InChIInChI=1S/C18H30N6O/c1-13(2)25-17-11-16(20-18(19)21-17)24-9-7-23(8-10-24)15-12-22-5-3-14(15)4-6-22/h11,13-15H,3-10,12H2,1-2H3,(H2,19,20,21)
InChIKeyUBRHOEFBRDZJHR-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.06
Rot. Bonds4

About 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine

4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 72897316) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
PubChem CID72897316
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCN(C3CN4CCC3CC4)CC2)nc(N)n1
InChIInChI=1S/C18H30N6O/c1-13(2)25-17-11-16(20-18(19)21-17)24-9-7-23(8-10-24)15-12-22-5-3-14(15)4-6-22/h11,13-15H,3-10,12H2,1-2H3,(H2,19,20,21)
InChIKeyUBRHOEFBRDZJHR-UHFFFAOYSA-N
XLogP1.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine with MolForge

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Related Compounds

(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72839277
N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50982057
4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 134696150
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
4-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56868687
(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131242
[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99928811
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
CID 99622770

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine (CID 72897316) is 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1cc(N2CCN(C3CN4CCC3CC4)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is UBRHOEFBRDZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-13(2)25-17-11-16(20-18(19)21-17)24-9-7-23(8-10-24)15-12-22-5-3-14(15)4-6-22/h11,13-15H,3-10,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine?
4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 346.48 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 72897316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).