6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine

C14H20N6 — CID 152568598

IUPAC6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine
SMILESCCc1cc(-c2nc(N)nc(N)c2N)c(C(C)C)cn1
InChIInChI=1S/C14H20N6/c1-4-8-5-9(10(6-18-8)7(2)3)12-11(15)13(16)20-14(17)19-12/h5-7H,4,15H2,1-3H3,(H4,16,17,19,20)
InChIKeyYQZRVGCDTAZGGQ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.97
Rot. Bonds3

About 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine

6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine (PubChem CID 152568598) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine
PubChem CID152568598
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine
SMILESCCc1cc(-c2nc(N)nc(N)c2N)c(C(C)C)cn1
InChIInChI=1S/C14H20N6/c1-4-8-5-9(10(6-18-8)7(2)3)12-11(15)13(16)20-14(17)19-12/h5-7H,4,15H2,1-3H3,(H4,16,17,19,20)
InChIKeyYQZRVGCDTAZGGQ-UHFFFAOYSA-N
XLogP1.97
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine?
The IUPAC name of 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine (CID 152568598) is 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine is CCc1cc(-c2nc(N)nc(N)c2N)c(C(C)C)cn1.
What is the InChIKey of 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine?
The InChIKey is YQZRVGCDTAZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-8-5-9(10(6-18-8)7(2)3)12-11(15)13(16)20-14(17)19-12/h5-7H,4,15H2,1-3H3,(H4,16,17,19,20).
What are the key properties of 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine?
6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine has a molecular weight of 272.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-propan-2-yl-4-pyridinyl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 152568598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).