2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine

C14H23N5 — CID 80934582

IUPAC2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H23N5/c1-3-12-17-13(15-2)9-14(18-12)16-10-6-8-19-7-4-5-11(10)19/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyVGBXILSVCBYPSS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds4

About 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80934582) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80934582
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H23N5/c1-3-12-17-13(15-2)9-14(18-12)16-10-6-8-19-7-4-5-11(10)19/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyVGBXILSVCBYPSS-UHFFFAOYSA-N
XLogP1.73
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine (CID 80934582) is 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(NC2CCN3CCCC23)n1.
What is the InChIKey of 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is VGBXILSVCBYPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-12-17-13(15-2)9-14(18-12)16-10-6-8-19-7-4-5-11(10)19/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).