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

C14H23N5 — CID 80805013

IUPAC4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC1CCN2CCCC12
InChIInChI=1S/C14H23N5/c1-9(2)12-13(15)16-8-17-14(12)18-10-5-7-19-6-3-4-11(10)19/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyRHKUWWWDHBBYBJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds3

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

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80805013) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80805013
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC1CCN2CCCC12
InChIInChI=1S/C14H23N5/c1-9(2)12-13(15)16-8-17-14(12)18-10-5-7-19-6-3-4-11(10)19/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyRHKUWWWDHBBYBJ-UHFFFAOYSA-N
XLogP1.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyrimidine-4,6-diamine
CID 80807917
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 80805623
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782403
4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80840974
4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114241708
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
CID 114112585
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80805013) is 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NC1CCN2CCCC12.
What is the InChIKey of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RHKUWWWDHBBYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(2)12-13(15)16-8-17-14(12)18-10-5-7-19-6-3-4-11(10)19/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80805013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).