N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine

C11H14ClN5 — CID 152506703

IUPACN-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine
SMILESCC(C)(C)n1cc(Nc2nccc(Cl)n2)cn1
InChIInChI=1S/C11H14ClN5/c1-11(2,3)17-7-8(6-14-17)15-10-13-5-4-9(12)16-10/h4-7H,1-3H3,(H,13,15,16)
InChIKeyYEPSVFPNTPBXJF-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.83
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine

N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine (PubChem CID 152506703) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine
PubChem CID152506703
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine
SMILESCC(C)(C)n1cc(Nc2nccc(Cl)n2)cn1
InChIInChI=1S/C11H14ClN5/c1-11(2,3)17-7-8(6-14-17)15-10-13-5-4-9(12)16-10/h4-7H,1-3H3,(H,13,15,16)
InChIKeyYEPSVFPNTPBXJF-UHFFFAOYSA-N
XLogP2.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine (CID 152506703) is N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine is CC(C)(C)n1cc(Nc2nccc(Cl)n2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine?
The InChIKey is YEPSVFPNTPBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-11(2,3)17-7-8(6-14-17)15-10-13-5-4-9(12)16-10/h4-7H,1-3H3,(H,13,15,16).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine?
N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine is sourced from PubChem (CID 152506703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).