4-N-pentan-3-ylpyrimidine-2,4,6-triamine

C9H17N5 — CID 80769685

IUPAC4-N-pentan-3-ylpyrimidine-2,4,6-triamine
SMILESCCC(CC)Nc1cc(N)nc(N)n1
InChIInChI=1S/C9H17N5/c1-3-6(4-2)12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyDUIKDFBSVJPIBE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds4

About 4-N-pentan-3-ylpyrimidine-2,4,6-triamine

4-N-pentan-3-ylpyrimidine-2,4,6-triamine (PubChem CID 80769685) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-pentan-3-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-pentan-3-ylpyrimidine-2,4,6-triamine
PubChem CID80769685
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N-pentan-3-ylpyrimidine-2,4,6-triamine
SMILESCCC(CC)Nc1cc(N)nc(N)n1
InChIInChI=1S/C9H17N5/c1-3-6(4-2)12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyDUIKDFBSVJPIBE-UHFFFAOYSA-N
XLogP1.24
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 17773877
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CID 606255
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CID 229862
CID 229862
CID 753256
CID 753256
CID 25129179
CID 25129179
CID 16202258
CID 16202258
CID 24745337
CID 24745337
CID 24797598
CID 24797598
CID 54581940
CID 54581940
CID 54587790
CID 54587790

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-pentan-3-ylpyrimidine-2,4,6-triamine (CID 80769685) is 4-N-pentan-3-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-pentan-3-ylpyrimidine-2,4,6-triamine is CCC(CC)Nc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The InChIKey is DUIKDFBSVJPIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-6(4-2)12-8-5-7(10)13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H5,10,11,12,13,14).
What are the key properties of 4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
4-N-pentan-3-ylpyrimidine-2,4,6-triamine has a molecular weight of 195.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-3-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80769685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).