N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

C19H26N6O — CID 126890176

IUPACN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C19H26N6O/c1-2-14(3-1)19-22-17(23-26-19)12-24-10-7-16(8-11-24)25(15-4-5-15)18-6-9-20-13-21-18/h6,9,13-16H,1-5,7-8,10-12H2
InChIKeyDQYIMAAQNZXYSY-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 126890176) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID126890176
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C19H26N6O/c1-2-14(3-1)19-22-17(23-26-19)12-24-10-7-16(8-11-24)25(15-4-5-15)18-6-9-20-13-21-18/h6,9,13-16H,1-5,7-8,10-12H2
InChIKeyDQYIMAAQNZXYSY-UHFFFAOYSA-N
XLogP2.76
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126890114
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887311
N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-cyclopropylpyrimidin-4-amine
CID 172881442
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126890144
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890116
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993953
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 146155362
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (CID 126890176) is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is c1cc(N(C2CC2)C2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is DQYIMAAQNZXYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-14(3-1)19-22-17(23-26-19)12-24-10-7-16(8-11-24)25(15-4-5-15)18-6-9-20-13-21-18/h6,9,13-16H,1-5,7-8,10-12H2.
What are the key properties of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 126890176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).