6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

C16H31N5 — CID 80795484

IUPAC6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCCCCN(C)C(C)C)c1C
InChIInChI=1S/C16H31N5/c1-7-17-15-13(4)16(20-14(5)19-15)18-10-8-9-11-21(6)12(2)3/h12H,7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyLTGXGAXDWNDDRD-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.06
Rot. Bonds9

About 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (PubChem CID 80795484) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
PubChem CID80795484
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCCCCN(C)C(C)C)c1C
InChIInChI=1S/C16H31N5/c1-7-17-15-13(4)16(20-14(5)19-15)18-10-8-9-11-21(6)12(2)3/h12H,7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyLTGXGAXDWNDDRD-UHFFFAOYSA-N
XLogP3.06
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (CID 80795484) is 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is CCNc1nc(C)nc(NCCCCN(C)C(C)C)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The InChIKey is LTGXGAXDWNDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-7-17-15-13(4)16(20-14(5)19-15)18-10-8-9-11-21(6)12(2)3/h12H,7-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80795484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).