1,2-dipentylpyrimidine-2,4-diamine

C14H28N4 — CID 118437446

IUPAC1,2-dipentylpyrimidine-2,4-diamine
SMILESCCCCCN1C=CC(N)=NC1(N)CCCCC
InChIInChI=1S/C14H28N4/c1-3-5-7-10-14(16)17-13(15)9-12-18(14)11-8-6-4-2/h9,12H,3-8,10-11,16H2,1-2H3,(H2,15,17)
InChIKeyKRSVNEZSKJSZHN-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.56
Rot. Bonds8

About 1,2-dipentylpyrimidine-2,4-diamine

1,2-dipentylpyrimidine-2,4-diamine (PubChem CID 118437446) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1,2-dipentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name1,2-dipentylpyrimidine-2,4-diamine
PubChem CID118437446
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1,2-dipentylpyrimidine-2,4-diamine
SMILESCCCCCN1C=CC(N)=NC1(N)CCCCC
InChIInChI=1S/C14H28N4/c1-3-5-7-10-14(16)17-13(15)9-12-18(14)11-8-6-4-2/h9,12H,3-8,10-11,16H2,1-2H3,(H2,15,17)
InChIKeyKRSVNEZSKJSZHN-UHFFFAOYSA-N
XLogP2.56
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dipentylpyrimidine-2,4-diamine?
The IUPAC name of 1,2-dipentylpyrimidine-2,4-diamine (CID 118437446) is 1,2-dipentylpyrimidine-2,4-diamine.
What is the SMILES notation for 1,2-dipentylpyrimidine-2,4-diamine?
The canonical SMILES for 1,2-dipentylpyrimidine-2,4-diamine is CCCCCN1C=CC(N)=NC1(N)CCCCC.
What is the InChIKey of 1,2-dipentylpyrimidine-2,4-diamine?
The InChIKey is KRSVNEZSKJSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-5-7-10-14(16)17-13(15)9-12-18(14)11-8-6-4-2/h9,12H,3-8,10-11,16H2,1-2H3,(H2,15,17).
What are the key properties of 1,2-dipentylpyrimidine-2,4-diamine?
1,2-dipentylpyrimidine-2,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentylpyrimidine-2,4-diamine is sourced from PubChem (CID 118437446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).