4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine

C14H18FN5 — CID 134511922

IUPAC4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(F)cc2)nc1NCCCN
InChIInChI=1S/C14H18FN5/c1-10-9-18-14(20-13(10)17-8-2-7-16)19-12-5-3-11(15)4-6-12/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20)
InChIKeySBDNTJFXJYPYGT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.43
Rot. Bonds6

About 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine

4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 134511922) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID134511922
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(F)cc2)nc1NCCCN
InChIInChI=1S/C14H18FN5/c1-10-9-18-14(20-13(10)17-8-2-7-16)19-12-5-3-11(15)4-6-12/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20)
InChIKeySBDNTJFXJYPYGT-UHFFFAOYSA-N
XLogP2.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
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 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine (CID 134511922) is 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(F)cc2)nc1NCCCN.
What is the InChIKey of 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is SBDNTJFXJYPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-10-9-18-14(20-13(10)17-8-2-7-16)19-12-5-3-11(15)4-6-12/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-2-N-(4-fluorophenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 134511922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).