4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine

C13H21N5 — CID 113224826

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN3CCCC3C2)nc(N)n1
InChIInChI=1S/C13H21N5/c1-9-7-12(17-13(14)15-9)16-10-4-6-18-5-2-3-11(18)8-10/h7,10-11H,2-6,8H2,1H3,(H3,14,15,16,17)
InChIKeyCZBHGXOQQSNSSI-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.41
Rot. Bonds2

About 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 113224826) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID113224826
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCN3CCCC3C2)nc(N)n1
InChIInChI=1S/C13H21N5/c1-9-7-12(17-13(14)15-9)16-10-4-6-18-5-2-3-11(18)8-10/h7,10-11H,2-6,8H2,1H3,(H3,14,15,16,17)
InChIKeyCZBHGXOQQSNSSI-UHFFFAOYSA-N
XLogP1.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
CID 102809339
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
CID 113333804
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
4-N-(1,1-dioxothian-4-yl)-6-methylpyrimidine-2,4-diamine
CID 80789043
N-(3-bromo-5-methylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104938392
N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106578356
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
2,6-dimethyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine
CID 126823280
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 80904548
5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine (CID 113224826) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCN3CCCC3C2)nc(N)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is CZBHGXOQQSNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-7-12(17-13(14)15-9)16-10-4-6-18-5-2-3-11(18)8-10/h7,10-11H,2-6,8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 113224826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).