N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C17H26N6O — CID 31106093

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C17H26N6O/c1-22-13-15(12-20-22)16-3-6-18-17(21-16)19-11-14-4-7-23(8-5-14)9-10-24-2/h3,6,12-14H,4-5,7-11H2,1-2H3,(H,18,19,21)
InChIKeyFTQFIHITUWSRTD-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.65
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 31106093) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID31106093
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C17H26N6O/c1-22-13-15(12-20-22)16-3-6-18-17(21-16)19-11-14-4-7-23(8-5-14)9-10-24-2/h3,6,12-14H,4-5,7-11H2,1-2H3,(H,18,19,21)
InChIKeyFTQFIHITUWSRTD-UHFFFAOYSA-N
XLogP1.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 31106093) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is COCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is FTQFIHITUWSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-22-13-15(12-20-22)16-3-6-18-17(21-16)19-11-14-4-7-23(8-5-14)9-10-24-2/h3,6,12-14H,4-5,7-11H2,1-2H3,(H,18,19,21).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 31106093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).