6-propan-2-ylpyrimidine-2,4-diamine

C7H12N4 — CID 12655163

IUPAC6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N)nc(N)n1
InChIInChI=1S/C7H12N4/c1-4(2)5-3-6(8)11-7(9)10-5/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyTVKULECROOEYEI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.76
Rot. Bonds1

About 6-propan-2-ylpyrimidine-2,4-diamine

6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 12655163) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID12655163
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N)nc(N)n1
InChIInChI=1S/C7H12N4/c1-4(2)5-3-6(8)11-7(9)10-5/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyTVKULECROOEYEI-UHFFFAOYSA-N
XLogP0.76
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-ylpyrimidine-2,4-diamine (CID 12655163) is 6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-ylpyrimidine-2,4-diamine is CC(C)c1cc(N)nc(N)n1.
What is the InChIKey of 6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is TVKULECROOEYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4(2)5-3-6(8)11-7(9)10-5/h3-4H,1-2H3,(H4,8,9,10,11).
What are the key properties of 6-propan-2-ylpyrimidine-2,4-diamine?
6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 12655163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).