4-propan-2-yl-1H-pyrimidine-2,4-diamine

C7H14N4 — CID 67413100

IUPAC4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCC(C)C1(N)C=CNC(N)=N1
InChIInChI=1S/C7H14N4/c1-5(2)7(9)3-4-10-6(8)11-7/h3-5H,9H2,1-2H3,(H3,8,10,11)
InChIKeyNSVSEZAMPUZPJS-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.27
Rot. Bonds1

About 4-propan-2-yl-1H-pyrimidine-2,4-diamine

4-propan-2-yl-1H-pyrimidine-2,4-diamine (PubChem CID 67413100) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyrimidine-2,4-diamine
PubChem CID67413100
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCC(C)C1(N)C=CNC(N)=N1
InChIInChI=1S/C7H14N4/c1-5(2)7(9)3-4-10-6(8)11-7/h3-5H,9H2,1-2H3,(H3,8,10,11)
InChIKeyNSVSEZAMPUZPJS-UHFFFAOYSA-N
XLogP-0.27
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-propan-2-yl-1H-pyrimidine-2,4-diamine (CID 67413100) is 4-propan-2-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-propan-2-yl-1H-pyrimidine-2,4-diamine is CC(C)C1(N)C=CNC(N)=N1.
What is the InChIKey of 4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is NSVSEZAMPUZPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)7(9)3-4-10-6(8)11-7/h3-5H,9H2,1-2H3,(H3,8,10,11).
What are the key properties of 4-propan-2-yl-1H-pyrimidine-2,4-diamine?
4-propan-2-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 67413100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).