N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine

C13H19N5 — CID 62294317

IUPACN-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1-n1cccn1
InChIInChI=1S/C13H19N5/c1-4-14-8-11-12(18-7-5-6-16-18)9-15-13(17-11)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyQWACUQPPBOLOCJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine

N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 62294317) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
PubChem CID62294317
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1-n1cccn1
InChIInChI=1S/C13H19N5/c1-4-14-8-11-12(18-7-5-6-16-18)9-15-13(17-11)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyQWACUQPPBOLOCJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine (CID 62294317) is N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine is CCNCc1nc(C(C)C)ncc1-n1cccn1.
What is the InChIKey of N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is QWACUQPPBOLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-14-8-11-12(18-7-5-6-16-18)9-15-13(17-11)10(2)3/h5-7,9-10,14H,4,8H2,1-3H3.
What are the key properties of N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine?
N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 62294317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).