4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C18H27N7O2 — CID 126888579

IUPAC4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C18H27N7O2/c1-24(2)16-9-15(19-12-20-16)21-14-3-6-25(7-4-14)10-17-22-23-18(27-17)13-5-8-26-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyYMLVISXSEWZYQO-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.51
Rot. Bonds6

About 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888579) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888579
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C18H27N7O2/c1-24(2)16-9-15(19-12-20-16)21-14-3-6-25(7-4-14)10-17-22-23-18(27-17)13-5-8-26-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyYMLVISXSEWZYQO-UHFFFAOYSA-N
XLogP1.51
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889761
N-cyclopropyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890933
N-methyl-6-[2-[[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72144336
N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95764410
N-methyl-6-[(2S)-2-[[[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95764411
N-methyl-6-[(2R)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95764412
N-methyl-6-[(2R)-2-[[[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95764413
N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-6-morpholinopyrimidin-4-amine
CID 122282602
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}pyrimidin-4-amine
CID 126887315
6-methyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887736
6-methyl-N-(1-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887737
6-methoxy-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126888164

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888579) is 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is YMLVISXSEWZYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-24(2)16-9-15(19-12-20-16)21-14-3-6-25(7-4-14)10-17-22-23-18(27-17)13-5-8-26-11-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 373.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).