N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C17H26N6O — CID 45192244

IUPACN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)C1
InChIInChI=1S/C17H26N6O/c1-22-13-15(11-20-22)16-4-6-18-17(21-16)19-10-14-5-8-23(12-14)7-3-9-24-2/h4,6,11,13-14H,3,5,7-10,12H2,1-2H3,(H,18,19,21)
InChIKeyIKYRHTPNIVRUOH-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.65
Rot. Bonds8

About N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 45192244) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID45192244
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)C1
InChIInChI=1S/C17H26N6O/c1-22-13-15(11-20-22)16-4-6-18-17(21-16)19-10-14-5-8-23(12-14)7-3-9-24-2/h4,6,11,13-14H,3,5,7-10,12H2,1-2H3,(H,18,19,21)
InChIKeyIKYRHTPNIVRUOH-UHFFFAOYSA-N
XLogP1.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
Cyclopentyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839966
Cyclohexyl-[4-(3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839968
4-[3-(1-Benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
CID 71818466
US11124500, Example 13
CID 155385391
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 30869391
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 46996104
N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 46948608
4-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 46986051
3-Methoxypropyl-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amine
CID 49795819
(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 122192139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 45192244) is N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is COCCCN1CCC(CNc2nccc(-c3cnn(C)c3)n2)C1.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is IKYRHTPNIVRUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-22-13-15(11-20-22)16-4-6-18-17(21-16)19-10-14-5-8-23(12-14)7-3-9-24-2/h4,6,11,13-14H,3,5,7-10,12H2,1-2H3,(H,18,19,21).
What are the key properties of N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 45192244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).