6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

C15H26N4O — CID 80781738

IUPAC6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)C2CCCO2)c1C(C)C
InChIInChI=1S/C15H26N4O/c1-5-16-14-13(10(2)3)15(18-9-17-14)19-11(4)12-7-6-8-20-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyRCZQCWNBVOPZPH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.01
Rot. Bonds6

About 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80781738) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80781738
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)C2CCCO2)c1C(C)C
InChIInChI=1S/C15H26N4O/c1-5-16-14-13(10(2)3)15(18-9-17-14)19-11(4)12-7-6-8-20-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyRCZQCWNBVOPZPH-UHFFFAOYSA-N
XLogP3.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80781738) is 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(NC(C)C2CCCO2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RCZQCWNBVOPZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-14-13(10(2)3)15(18-9-17-14)19-11(4)12-7-6-8-20-12/h9-12H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).