2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine

C14H27N5 — CID 106042113

IUPAC2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-15-14-17-10-12(4)13(18-14)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyFYKJOHCZLRRMDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.36
Rot. Bonds8

About 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine (PubChem CID 106042113) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
PubChem CID106042113
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-15-14-17-10-12(4)13(18-14)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyFYKJOHCZLRRMDU-UHFFFAOYSA-N
XLogP2.36
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.36
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 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine (CID 106042113) is 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCCN(C)C(C)C)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The InChIKey is FYKJOHCZLRRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-15-14-17-10-12(4)13(18-14)16-8-7-9-19(5)11(2)3/h10-11H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106042113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).