4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine

C15H23N5O — CID 46994884

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine
SMILESCCCOCCCNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C15H23N5O/c1-4-9-21-10-5-7-16-15-17-8-6-14(18-15)13-11-20(3)19-12(13)2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyLQGXOHGTOKPDNF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds8

About 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine (PubChem CID 46994884) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine
PubChem CID46994884
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine
SMILESCCCOCCCNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C15H23N5O/c1-4-9-21-10-5-7-16-15-17-8-6-14(18-15)13-11-20(3)19-12(13)2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyLQGXOHGTOKPDNF-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
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-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
N-Methyl-4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 138454303
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
Cyclopentyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839966
Cyclohexyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839967
Cyclohexyl-[4-(3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839968
[4-(3-Isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-piperidin-4-ylamine
CID 49840032
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 30869391
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 46996104
4-(1H-pyrazol-4-yl)pyrimidine
CID 5073229
N-isopropyl-4-(3-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591707

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine (CID 46994884) is 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine is CCCOCCCNc1nccc(-c2cn(C)nc2C)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine?
The InChIKey is LQGXOHGTOKPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-9-21-10-5-7-16-15-17-8-6-14(18-15)13-11-20(3)19-12(13)2/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(3-propoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 46994884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).