4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine

C14H17N5 — CID 79917986

IUPAC4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c15-13-9-16-10-17-14(13)18-11-3-5-12(6-4-11)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,15H2,(H,16,17,18)
InChIKeyOUBDYGPXASXCFI-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.40
Rot. Bonds3

About 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine

4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine (PubChem CID 79917986) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
PubChem CID79917986
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c15-13-9-16-10-17-14(13)18-11-3-5-12(6-4-11)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,15H2,(H,16,17,18)
InChIKeyOUBDYGPXASXCFI-UHFFFAOYSA-N
XLogP2.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine (CID 79917986) is 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine?
The InChIKey is OUBDYGPXASXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-13-9-16-10-17-14(13)18-11-3-5-12(6-4-11)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,15H2,(H,16,17,18).
What are the key properties of 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine?
4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine has a molecular weight of 255.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79917986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).