N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

C9H16N4 — CID 83828266

IUPACN'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)c1nccc(NCCN)n1
InChIInChI=1S/C9H16N4/c1-7(2)9-12-5-3-8(13-9)11-6-4-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyVUKQSSYWXKCLMJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.97
Rot. Bonds4

About N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 83828266) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID83828266
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)c1nccc(NCCN)n1
InChIInChI=1S/C9H16N4/c1-7(2)9-12-5-3-8(13-9)11-6-4-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyVUKQSSYWXKCLMJ-UHFFFAOYSA-N
XLogP0.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 83828266) is N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is CC(C)c1nccc(NCCN)n1.
What is the InChIKey of N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is VUKQSSYWXKCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)9-12-5-3-8(13-9)11-6-4-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13).
What are the key properties of N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83828266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).