6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C11H15N5O — CID 66329179

IUPAC6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C11H15N5O/c1-3-17-11-4-10(13-8-14-11)12-5-9-6-15-16(2)7-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyYCELDNMZRXBYNM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.22
Rot. Bonds5

About 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66329179) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66329179
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C11H15N5O/c1-3-17-11-4-10(13-8-14-11)12-5-9-6-15-16(2)7-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyYCELDNMZRXBYNM-UHFFFAOYSA-N
XLogP1.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972704
6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 128991961
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
6-(cyclopropylmethoxy)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 144538357
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 66329179) is 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is CCOc1cc(NCc2cnn(C)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is YCELDNMZRXBYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-17-11-4-10(13-8-14-11)12-5-9-6-15-16(2)7-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66329179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).