4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

C14H19N5O — CID 122566345

IUPAC4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2(Cn3cccn3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-2-20-12-4-8-15-13(18-12)16-10-14(5-6-14)11-19-9-3-7-17-19/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,15,16,18)
InChIKeyDVBWTZPAYLPPEF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.96
Rot. Bonds7

About 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 122566345) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID122566345
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2(Cn3cccn3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-2-20-12-4-8-15-13(18-12)16-10-14(5-6-14)11-19-9-3-7-17-19/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,15,16,18)
InChIKeyDVBWTZPAYLPPEF-UHFFFAOYSA-N
XLogP1.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 122566345) is 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is CCOc1ccnc(NCC2(Cn3cccn3)CC2)n1.
What is the InChIKey of 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is DVBWTZPAYLPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-20-12-4-8-15-13(18-12)16-10-14(5-6-14)11-19-9-3-7-17-19/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,15,16,18).
What are the key properties of 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 122566345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).