4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine

C15H21F2N5O — CID 44821712

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C
InChIInChI=1S/C15H21F2N5O/c1-4-22-10(2)11(9-19-22)12-8-13(14(16)17)21-15(20-12)18-6-5-7-23-3/h8-9,14H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyHAUZYLITMXYLBG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.05
Rot. Bonds8

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 44821712) has the molecular formula C15H21F2N5O and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID44821712
Molecular FormulaC15H21F2N5O
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C
InChIInChI=1S/C15H21F2N5O/c1-4-22-10(2)11(9-19-22)12-8-13(14(16)17)21-15(20-12)18-6-5-7-23-3/h8-9,14H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyHAUZYLITMXYLBG-UHFFFAOYSA-N
XLogP3.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
CID 7017806
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 44821754
4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821612
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 44822007
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 44821957
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 171131222
N'-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 19621197
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-N-(3-ethoxypropyl)pyrimidin-2-amine
CID 44821784
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 51852593
4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821953
4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 44824494
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
CID 122166024

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine (CID 44821712) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine is CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is HAUZYLITMXYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O/c1-4-22-10(2)11(9-19-22)12-8-13(14(16)17)21-15(20-12)18-6-5-7-23-3/h8-9,14H,4-7H2,1-3H3,(H,18,20,21).
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 325.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44821712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).