N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine

C11H13Cl2N5 — CID 87338226

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(Cl)ncc2Cl)n[nH]1
InChIInChI=1S/C11H13Cl2N5/c1-11(2,3)7-4-8(18-17-7)15-9-6(12)5-14-10(13)16-9/h4-5H,1-3H3,(H2,14,15,16,17,18)
InChIKeyINFUQHBUJVHGNV-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.55
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine (PubChem CID 87338226) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
PubChem CID87338226
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(Cl)ncc2Cl)n[nH]1
InChIInChI=1S/C11H13Cl2N5/c1-11(2,3)7-4-8(18-17-7)15-9-6(12)5-14-10(13)16-9/h4-5H,1-3H3,(H2,14,15,16,17,18)
InChIKeyINFUQHBUJVHGNV-UHFFFAOYSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine (CID 87338226) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine is CC(C)(C)c1cc(Nc2nc(Cl)ncc2Cl)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
The InChIKey is INFUQHBUJVHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-11(2,3)7-4-8(18-17-7)15-9-6(12)5-14-10(13)16-9/h4-5H,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine has a molecular weight of 286.17 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine is sourced from PubChem (CID 87338226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).