N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

C14H20ClFN4 — CID 86704443

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC1(C)CC(Nc2nc(Cl)ncc2F)CC2CCCN21
InChIInChI=1S/C14H20ClFN4/c1-14(2)7-9(6-10-4-3-5-20(10)14)18-12-11(16)8-17-13(15)19-12/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyOAVBCHSOAGIJIQ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.09
Rot. Bonds2

About N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 86704443) has the molecular formula C14H20ClFN4 and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID86704443
Molecular FormulaC14H20ClFN4
Molecular Weight298.79 g/mol
Exact Mass298.14
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCC1(C)CC(Nc2nc(Cl)ncc2F)CC2CCCN21
InChIInChI=1S/C14H20ClFN4/c1-14(2)7-9(6-10-4-3-5-20(10)14)18-12-11(16)8-17-13(15)19-12/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyOAVBCHSOAGIJIQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (CID 86704443) is N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is CC1(C)CC(Nc2nc(Cl)ncc2F)CC2CCCN21.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is OAVBCHSOAGIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN4/c1-14(2)7-9(6-10-4-3-5-20(10)14)18-12-11(16)8-17-13(15)19-12/h8-10H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 298.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 86704443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).