N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine

C11H15N5 — CID 65197584

IUPACN-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccn(C)n2)nc1
InChIInChI=1S/C11H15N5/c1-3-12-6-9-7-13-11(14-8-9)10-4-5-16(2)15-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyTYSYMSZNGKGSHM-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.99
Rot. Bonds4

About N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 65197584) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID65197584
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccn(C)n2)nc1
InChIInChI=1S/C11H15N5/c1-3-12-6-9-7-13-11(14-8-9)10-4-5-16(2)15-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyTYSYMSZNGKGSHM-UHFFFAOYSA-N
XLogP0.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine (CID 65197584) is N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccn(C)n2)nc1.
What is the InChIKey of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is TYSYMSZNGKGSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-12-6-9-7-13-11(14-8-9)10-4-5-16(2)15-10/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 217.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 65197584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).