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

C14H21N5 — CID 77088979

IUPACN-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCC(C)c1nccc(CN(C)CCn2cccn2)n1
InChIInChI=1S/C14H21N5/c1-12(2)14-15-7-5-13(17-14)11-18(3)9-10-19-8-4-6-16-19/h4-8,12H,9-11H2,1-3H3
InChIKeySHNYIVHDOUTFTI-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.93
Rot. Bonds6

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

N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 77088979) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID77088979
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCC(C)c1nccc(CN(C)CCn2cccn2)n1
InChIInChI=1S/C14H21N5/c1-12(2)14-15-7-5-13(17-14)11-18(3)9-10-19-8-4-6-16-19/h4-8,12H,9-11H2,1-3H3
InChIKeySHNYIVHDOUTFTI-UHFFFAOYSA-N
XLogP1.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine (CID 77088979) is N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine is CC(C)c1nccc(CN(C)CCn2cccn2)n1.
What is the InChIKey of N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is SHNYIVHDOUTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12(2)14-15-7-5-13(17-14)11-18(3)9-10-19-8-4-6-16-19/h4-8,12H,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine?
N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 77088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).