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

C15H25N5 — CID 80934511

IUPAC6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCN3CCCC23)nc(CC)n1
InChIInChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)10-15(19-13)17-11-7-9-20-8-5-6-12(11)20/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyBEEIRYMFUOUMLE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds5

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

6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine (PubChem CID 80934511) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
PubChem CID80934511
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCN3CCCC23)nc(CC)n1
InChIInChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)10-15(19-13)17-11-7-9-20-8-5-6-12(11)20/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyBEEIRYMFUOUMLE-UHFFFAOYSA-N
XLogP2.12
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine (CID 80934511) is 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCN3CCCC23)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is BEEIRYMFUOUMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)10-15(19-13)17-11-7-9-20-8-5-6-12(11)20/h10-12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).