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

C19H29N7O2 — CID 126888580

IUPAC4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C19H29N7O2/c1-25(2)17-11-16(20-13-21-17)22-15-3-7-26(8-4-15)12-18-23-24-19(28-18)14-5-9-27-10-6-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,21,22)
InChIKeySSBUDVNVMBTMSZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP1.90
Rot. Bonds6

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

4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888580) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-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-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888580
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C19H29N7O2/c1-25(2)17-11-16(20-13-21-17)22-15-3-7-26(8-4-15)12-18-23-24-19(28-18)14-5-9-27-10-6-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,21,22)
InChIKeySSBUDVNVMBTMSZ-UHFFFAOYSA-N
XLogP1.90
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-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-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888580) is 4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-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-(oxan-4-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-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is SSBUDVNVMBTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-25(2)17-11-16(20-13-21-17)22-15-3-7-26(8-4-15)12-18-23-24-19(28-18)14-5-9-27-10-6-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 387.49 g/mol, XLogP of 1.90, 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-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).