2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine

C15H25N3S — CID 107765323

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
SMILESCCCCCSc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C15H25N3S/c1-4-6-7-10-19-15-11(3)13(16-5-2)17-14(18-15)12-8-9-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyYOGCXHZFGQNZNY-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.38
Rot. Bonds8

About 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine (PubChem CID 107765323) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
PubChem CID107765323
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
SMILESCCCCCSc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C15H25N3S/c1-4-6-7-10-19-15-11(3)13(16-5-2)17-14(18-15)12-8-9-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyYOGCXHZFGQNZNY-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine (CID 107765323) is 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine is CCCCCSc1nc(C2CC2)nc(NCC)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine?
The InChIKey is YOGCXHZFGQNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-6-7-10-19-15-11(3)13(16-5-2)17-14(18-15)12-8-9-12/h12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 107765323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).