4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide

C12H18N6O — CID 116648207

IUPAC4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CN3CCN2CC3)nc(N)c1C(N)=O
InChIInChI=1S/C12H18N6O/c1-7-9(11(14)19)10(13)16-12(15-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6H2,1H3,(H2,14,19)(H2,13,15,16)
InChIKeyFULOGXLRXJHSHQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.86
Rot. Bonds2

About 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide

4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide (PubChem CID 116648207) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide
PubChem CID116648207
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CN3CCN2CC3)nc(N)c1C(N)=O
InChIInChI=1S/C12H18N6O/c1-7-9(11(14)19)10(13)16-12(15-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6H2,1H3,(H2,14,19)(H2,13,15,16)
InChIKeyFULOGXLRXJHSHQ-UHFFFAOYSA-N
XLogP-0.86
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide (CID 116648207) is 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide is Cc1nc(C2CN3CCN2CC3)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is FULOGXLRXJHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7-9(11(14)19)10(13)16-12(15-7)8-6-17-2-4-18(8)5-3-17/h8H,2-6H2,1H3,(H2,14,19)(H2,13,15,16).
What are the key properties of 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide?
4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 116648207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).