4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine

C10H16F2N4O — CID 134569280

IUPAC4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine
SMILESCOc1cnc(N)nc1NCCCC(C)(F)F
InChIInChI=1S/C10H16F2N4O/c1-10(11,12)4-3-5-14-8-7(17-2)6-15-9(13)16-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyXPVSHWXDEQAEML-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.91
Rot. Bonds6

About 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine

4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine (PubChem CID 134569280) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine
PubChem CID134569280
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine
SMILESCOc1cnc(N)nc1NCCCC(C)(F)F
InChIInChI=1S/C10H16F2N4O/c1-10(11,12)4-3-5-14-8-7(17-2)6-15-9(13)16-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyXPVSHWXDEQAEML-UHFFFAOYSA-N
XLogP1.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
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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Related Compounds

5-Methoxypyrimidin-4-amine
CID 817704
5-Methoxy-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129175
(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptan-1-ol
CID 66575871
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856437
4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856471
(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856477
4-Pyrimidinamine, 2,5-dimethoxy-
CID 250370
4-N-(2-cyclopropylethyl)-5-methoxypyrimidine-2,4-diamine
CID 70856123
4-N-butyl-5-propoxypyrimidine-2,4-diamine
CID 70856429
4-N-butyl-5-ethoxypyrimidine-2,4-diamine
CID 70856441
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine (CID 134569280) is 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine is COc1cnc(N)nc1NCCCC(C)(F)F.
What is the InChIKey of 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine?
The InChIKey is XPVSHWXDEQAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-10(11,12)4-3-5-14-8-7(17-2)6-15-9(13)16-8/h6H,3-5H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine?
4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine has a molecular weight of 246.26 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 134569280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).