4-N-butyl-6-fluoropyrimidine-2,4-diamine

C8H13FN4 — CID 2780461

IUPAC4-N-butyl-6-fluoropyrimidine-2,4-diamine
SMILESCCCCNc1cc(F)nc(N)n1
InChIInChI=1S/C8H13FN4/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyMLSJTJJSMGOSAW-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.41
Rot. Bonds4

About 4-N-butyl-6-fluoropyrimidine-2,4-diamine

4-N-butyl-6-fluoropyrimidine-2,4-diamine (PubChem CID 2780461) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-N-butyl-6-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-fluoropyrimidine-2,4-diamine
PubChem CID2780461
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name4-N-butyl-6-fluoropyrimidine-2,4-diamine
SMILESCCCCNc1cc(F)nc(N)n1
InChIInChI=1S/C8H13FN4/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyMLSJTJJSMGOSAW-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.41
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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Related Compounds

4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122126419
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-[2-amino-6-(butylamino)pyrimidin-4-yl]butan-2-one
CID 134572370

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-fluoropyrimidine-2,4-diamine (CID 2780461) is 4-N-butyl-6-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-fluoropyrimidine-2,4-diamine is CCCCNc1cc(F)nc(N)n1.
What is the InChIKey of 4-N-butyl-6-fluoropyrimidine-2,4-diamine?
The InChIKey is MLSJTJJSMGOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-butyl-6-fluoropyrimidine-2,4-diamine?
4-N-butyl-6-fluoropyrimidine-2,4-diamine has a molecular weight of 184.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 2780461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).