4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine

C19H23N7 — CID 46998124

IUPAC4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2cn(CC3CCN(c4ccnc(N)n4)CC3)nn2)cc1
InChIInChI=1S/C19H23N7/c1-14-2-4-16(5-3-14)17-13-26(24-23-17)12-15-7-10-25(11-8-15)18-6-9-21-19(20)22-18/h2-6,9,13,15H,7-8,10-12H2,1H3,(H2,20,21,22)
InChIKeyRSEPNWFQDHXZSB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.54
Rot. Bonds4

About 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine

4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 46998124) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID46998124
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2cn(CC3CCN(c4ccnc(N)n4)CC3)nn2)cc1
InChIInChI=1S/C19H23N7/c1-14-2-4-16(5-3-14)17-13-26(24-23-17)12-15-7-10-25(11-8-15)18-6-9-21-19(20)22-18/h2-6,9,13,15H,7-8,10-12H2,1H3,(H2,20,21,22)
InChIKeyRSEPNWFQDHXZSB-UHFFFAOYSA-N
XLogP2.54
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine
CID 56858180
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845282
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 29001075
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-(1-ethyltriazol-4-yl)pyrimidin-2-amine
CID 137487091
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
1-(azetidin-3-ylmethyl)-4-phenyltriazole
CID 86262228
4-(3-methoxypyrrolidin-1-yl)pyrimidin-2-amine
CID 103541763

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine (CID 46998124) is 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine is Cc1ccc(-c2cn(CC3CCN(c4ccnc(N)n4)CC3)nn2)cc1.
What is the InChIKey of 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is RSEPNWFQDHXZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-14-2-4-16(5-3-14)17-13-26(24-23-17)12-15-7-10-25(11-8-15)18-6-9-21-19(20)22-18/h2-6,9,13,15H,7-8,10-12H2,1H3,(H2,20,21,22).
What are the key properties of 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine?
4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 46998124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).