6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine

C13H16N4 — CID 80952428

IUPAC6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnccc1-c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H16N4/c1-8(2)13-16-11(6-12(14)17-13)10-4-5-15-7-9(10)3/h4-8H,1-3H3,(H2,14,16,17)
InChIKeyMHJGFDOLELZAIU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.55
Rot. Bonds2

About 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine

6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80952428) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80952428
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnccc1-c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H16N4/c1-8(2)13-16-11(6-12(14)17-13)10-4-5-15-7-9(10)3/h4-8H,1-3H3,(H2,14,16,17)
InChIKeyMHJGFDOLELZAIU-UHFFFAOYSA-N
XLogP2.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine (CID 80952428) is 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cnccc1-c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MHJGFDOLELZAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8(2)13-16-11(6-12(14)17-13)10-4-5-15-7-9(10)3/h4-8H,1-3H3,(H2,14,16,17).
What are the key properties of 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine?
6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).