4-N-pentan-2-ylpyrimidine-4,6-diamine

C9H16N4 — CID 78929734

IUPAC4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4/c1-3-4-7(2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeySNWSAWYUAAQLOZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds4

About 4-N-pentan-2-ylpyrimidine-4,6-diamine

4-N-pentan-2-ylpyrimidine-4,6-diamine (PubChem CID 78929734) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-N-pentan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-pentan-2-ylpyrimidine-4,6-diamine
PubChem CID78929734
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4/c1-3-4-7(2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeySNWSAWYUAAQLOZ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-pentan-2-ylpyrimidine-4,6-diamine (CID 78929734) is 4-N-pentan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-pentan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-pentan-2-ylpyrimidine-4,6-diamine is CCCC(C)Nc1cc(N)ncn1.
What is the InChIKey of 4-N-pentan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SNWSAWYUAAQLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-4-7(2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-N-pentan-2-ylpyrimidine-4,6-diamine?
4-N-pentan-2-ylpyrimidine-4,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 78929734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).