5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine

C12H14N4 — CID 59333399

IUPAC5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1cncc(-c2cnc(N)nc2)c1
InChIInChI=1S/C12H14N4/c1-8(2)9-3-10(5-14-4-9)11-6-15-12(13)16-7-11/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyCYMZDJITEXCUEH-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.24
Rot. Bonds2

About 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine

5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 59333399) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID59333399
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1cncc(-c2cnc(N)nc2)c1
InChIInChI=1S/C12H14N4/c1-8(2)9-3-10(5-14-4-9)11-6-15-12(13)16-7-11/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyCYMZDJITEXCUEH-UHFFFAOYSA-N
XLogP2.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine (CID 59333399) is 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine is CC(C)c1cncc(-c2cnc(N)nc2)c1.
What is the InChIKey of 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is CYMZDJITEXCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8(2)9-3-10(5-14-4-9)11-6-15-12(13)16-7-11/h3-8H,1-2H3,(H2,13,15,16).
What are the key properties of 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine?
5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 59333399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).