5-propan-2-yl-4H-pyrimidine-4,5,6-triamine

C7H15N5 — CID 154501816

IUPAC5-propan-2-yl-4H-pyrimidine-4,5,6-triamine
SMILESCC(C)C1(N)C(N)=NC=NC1N
InChIInChI=1S/C7H15N5/c1-4(2)7(10)5(8)11-3-12-6(7)9/h3-5H,8,10H2,1-2H3,(H2,9,11,12)
InChIKeyFIHVSPBPSLTARF-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.98
Rot. Bonds1

About 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine

5-propan-2-yl-4H-pyrimidine-4,5,6-triamine (PubChem CID 154501816) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name5-propan-2-yl-4H-pyrimidine-4,5,6-triamine
PubChem CID154501816
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-propan-2-yl-4H-pyrimidine-4,5,6-triamine
SMILESCC(C)C1(N)C(N)=NC=NC1N
InChIInChI=1S/C7H15N5/c1-4(2)7(10)5(8)11-3-12-6(7)9/h3-5H,8,10H2,1-2H3,(H2,9,11,12)
InChIKeyFIHVSPBPSLTARF-UHFFFAOYSA-N
XLogP-0.98
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine?
The IUPAC name of 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine (CID 154501816) is 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine.
What is the SMILES notation for 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine?
The canonical SMILES for 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine is CC(C)C1(N)C(N)=NC=NC1N.
What is the InChIKey of 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine?
The InChIKey is FIHVSPBPSLTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4(2)7(10)5(8)11-3-12-6(7)9/h3-5H,8,10H2,1-2H3,(H2,9,11,12).
What are the key properties of 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine?
5-propan-2-yl-4H-pyrimidine-4,5,6-triamine has a molecular weight of 169.23 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4H-pyrimidine-4,5,6-triamine is sourced from PubChem (CID 154501816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).