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

C16H22N6O — CID 126890073

IUPACN-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1noc(CN2CCC(N(c3ccncn3)C3CC3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-19-16(23-20-12)10-21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-17-11-18-15/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyIIVKEEJUDPNZNN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.80
Rot. Bonds5

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

N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890073) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890073
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1noc(CN2CCC(N(c3ccncn3)C3CC3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-12-19-16(23-20-12)10-21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-17-11-18-15/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3
InChIKeyIIVKEEJUDPNZNN-UHFFFAOYSA-N
XLogP1.80
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126890114
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126890144
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890340
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993953

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126890073) is N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1noc(CN2CCC(N(c3ccncn3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is IIVKEEJUDPNZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-19-16(23-20-12)10-21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-17-11-18-15/h4,7,11,13-14H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).