4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine

C10H13N5O — CID 112636913

IUPAC4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H13N5O/c1-2-16-9-3-4-11-10(15-9)12-5-8-6-13-14-7-8/h3-4,6-7H,2,5H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyRVDIJCOCRUSVHX-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.21
Rot. Bonds5

About 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine

4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 112636913) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID112636913
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H13N5O/c1-2-16-9-3-4-11-10(15-9)12-5-8-6-13-14-7-8/h3-4,6-7H,2,5H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyRVDIJCOCRUSVHX-UHFFFAOYSA-N
XLogP1.21
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 112636925
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (CID 112636913) is 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is CCOc1ccnc(NCc2cn[nH]c2)n1.
What is the InChIKey of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is RVDIJCOCRUSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-16-9-3-4-11-10(15-9)12-5-8-6-13-14-7-8/h3-4,6-7H,2,5H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).