2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

C17H26N8 — CID 70707320

IUPAC2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)Cc1nnc(C2CCN(c3nccc(N)n3)CC2)n1C1CC1
InChIInChI=1S/C17H26N8/c1-23(2)11-15-21-22-16(25(15)13-3-4-13)12-6-9-24(10-7-12)17-19-8-5-14(18)20-17/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyHSICQYVSOITZIS-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 70707320) has the molecular formula C17H26N8 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID70707320
Molecular FormulaC17H26N8
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Name2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)Cc1nnc(C2CCN(c3nccc(N)n3)CC2)n1C1CC1
InChIInChI=1S/C17H26N8/c1-23(2)11-15-21-22-16(25(15)13-3-4-13)12-6-9-24(10-7-12)17-19-8-5-14(18)20-17/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyHSICQYVSOITZIS-UHFFFAOYSA-N
XLogP1.43
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

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-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-pyrimidine
CID 6603034
2-[4-[(1-Cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 45807470
N-methyl-2-{4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70707182
2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylpyrimidin-4-amine
CID 70734973
1-(4-ethyl-5-{1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70739864
1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70745589
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine
CID 70756171
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70779369
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70784308
2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrimidine
CID 72842564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (CID 70707320) is 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is CN(C)Cc1nnc(C2CCN(c3nccc(N)n3)CC2)n1C1CC1.
What is the InChIKey of 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is HSICQYVSOITZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8/c1-23(2)11-15-21-22-16(25(15)13-3-4-13)12-6-9-24(10-7-12)17-19-8-5-14(18)20-17/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70707320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).