4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

C18H28N8 — CID 45182636

IUPAC4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCC1CCCN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)C1
InChIInChI=1S/C18H28N8/c1-14-3-2-8-24(11-14)12-15-13-26(23-22-15)16-5-9-25(10-6-16)17-4-7-20-18(19)21-17/h4,7,13-14,16H,2-3,5-6,8-12H2,1H3,(H2,19,20,21)
InChIKeySKCIUWOEEVDIDK-UHFFFAOYSA-N
MW356.48 g/mol
LogP1.72
Rot. Bonds4

About 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 45182636) has the molecular formula C18H28N8 and a molecular weight of 356.48 g/mol. Its IUPAC name is 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID45182636
Molecular FormulaC18H28N8
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCC1CCCN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)C1
InChIInChI=1S/C18H28N8/c1-14-3-2-8-24(11-14)12-15-13-26(23-22-15)16-5-9-25(10-6-16)17-4-7-20-18(19)21-17/h4,7,13-14,16H,2-3,5-6,8-12H2,1H3,(H2,19,20,21)
InChIKeySKCIUWOEEVDIDK-UHFFFAOYSA-N
XLogP1.72
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965334
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazin-1-yl}-pyrimidine
CID 648855
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazin-1-yl}-pyrimidine
CID 654502
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 137649371
6-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-N-isopropylpyrimidin-4-amine
CID 46995038
6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 46998993
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70779369
N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933042
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331
3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 95823671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (CID 45182636) is 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is CC1CCCN(Cc2cn(C3CCN(c4ccnc(N)n4)CC3)nn2)C1.
What is the InChIKey of 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is SKCIUWOEEVDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8/c1-14-3-2-8-24(11-14)12-15-13-26(23-22-15)16-5-9-25(10-6-16)17-4-7-20-18(19)21-17/h4,7,13-14,16H,2-3,5-6,8-12H2,1H3,(H2,19,20,21).
What are the key properties of 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 356.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 45182636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).