N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine

C13H19N5 — CID 64770856

IUPACN-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1ncccn1
InChIInChI=1S/C13H19N5/c1-10(2)18-8-5-11(17-18)9-12(14-3)13-15-6-4-7-16-13/h4-8,10,12,14H,9H2,1-3H3
InChIKeyHIHDJHDCBWGOCL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine

N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 64770856) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
PubChem CID64770856
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1ncccn1
InChIInChI=1S/C13H19N5/c1-10(2)18-8-5-11(17-18)9-12(14-3)13-15-6-4-7-16-13/h4-8,10,12,14H,9H2,1-3H3
InChIKeyHIHDJHDCBWGOCL-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79522561
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline
CID 105154928
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154934
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114886218
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine (CID 64770856) is N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine is CNC(Cc1ccn(C(C)C)n1)c1ncccn1.
What is the InChIKey of N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is HIHDJHDCBWGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)18-8-5-11(17-18)9-12(14-3)13-15-6-4-7-16-13/h4-8,10,12,14H,9H2,1-3H3.
What are the key properties of N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine?
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 64770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).