4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

C9H17N5 — CID 80775843

IUPAC4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCN(c1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C9H17N5/c1-4-14(6(2)3)8-5-7(10)12-9(11)13-8/h5-6H,4H2,1-3H3,(H4,10,11,12,13)
InChIKeyDXTFXZCMCYMZAY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.88
Rot. Bonds3

About 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (PubChem CID 80775843) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
PubChem CID80775843
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCN(c1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C9H17N5/c1-4-14(6(2)3)8-5-7(10)12-9(11)13-8/h5-6H,4H2,1-3H3,(H4,10,11,12,13)
InChIKeyDXTFXZCMCYMZAY-UHFFFAOYSA-N
XLogP0.88
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (CID 80775843) is 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is CCN(c1cc(N)nc(N)n1)C(C)C.
What is the InChIKey of 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The InChIKey is DXTFXZCMCYMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-14(6(2)3)8-5-7(10)12-9(11)13-8/h5-6H,4H2,1-3H3,(H4,10,11,12,13).
What are the key properties of 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine has a molecular weight of 195.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80775843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).