4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine

C11H15N5O — CID 112636925

IUPAC4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2cn[nH]c2C)n1
InChIInChI=1S/C11H15N5O/c1-3-17-10-4-5-12-11(15-10)13-6-9-7-14-16-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyKKGJQKJONHYKDZ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.52
Rot. Bonds5

About 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 112636925) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID112636925
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2cn[nH]c2C)n1
InChIInChI=1S/C11H15N5O/c1-3-17-10-4-5-12-11(15-10)13-6-9-7-14-16-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyKKGJQKJONHYKDZ-UHFFFAOYSA-N
XLogP1.52
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
4-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-2-amine
CID 103111788

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine (CID 112636925) is 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2cn[nH]c2C)n1.
What is the InChIKey of 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is KKGJQKJONHYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-17-10-4-5-12-11(15-10)13-6-9-7-14-16-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 233.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112636925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).