2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine

C16H25N5 — CID 83091370

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cn(C)nc2C(C)(C)C)n1
InChIInChI=1S/C16H25N5/c1-7-8-11-9-13(17-5)19-15(18-11)12-10-21(6)20-14(12)16(2,3)4/h9-10H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyIBMFKZHCOAHEDG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 83091370) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID83091370
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cn(C)nc2C(C)(C)C)n1
InChIInChI=1S/C16H25N5/c1-7-8-11-9-13(17-5)19-15(18-11)12-10-21(6)20-14(12)16(2,3)4/h9-10H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyIBMFKZHCOAHEDG-UHFFFAOYSA-N
XLogP3.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152
2-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 115990831
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350
2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 83092125
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 83094484
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine (CID 83091370) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2cn(C)nc2C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is IBMFKZHCOAHEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-7-8-11-9-13(17-5)19-15(18-11)12-10-21(6)20-14(12)16(2,3)4/h9-10H,7-8H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 83091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).