5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine

C14H25N5 — CID 72899527

IUPAC5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCCCN1CCCC1
InChIInChI=1S/C14H25N5/c1-2-12-11-17-14(15)18-13(12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H3,15,16,17,18)
InChIKeyLRLZCUCGOOPSGD-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.91
Rot. Bonds7

About 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine

5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 72899527) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
PubChem CID72899527
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCCCN1CCCC1
InChIInChI=1S/C14H25N5/c1-2-12-11-17-14(15)18-13(12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H3,15,16,17,18)
InChIKeyLRLZCUCGOOPSGD-UHFFFAOYSA-N
XLogP1.91
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine (CID 72899527) is 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine is CCc1cnc(N)nc1NCCCCN1CCCC1.
What is the InChIKey of 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is LRLZCUCGOOPSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-12-11-17-14(15)18-13(12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine?
5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).