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

C18H24F3N7O — CID 126891514

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C18H24F3N7O/c1-26(2)14-9-15(23-11-22-14)28(12-3-4-12)13-5-7-27(8-6-13)10-16-24-25-17(29-16)18(19,20)21/h9,11-13H,3-8,10H2,1-2H3
InChIKeyXRWMKOMLBQLKCM-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.58
Rot. Bonds6

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

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891514) has the molecular formula C18H24F3N7O and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891514
Molecular FormulaC18H24F3N7O
Molecular Weight411.43 g/mol
Exact Mass411.20
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C18H24F3N7O/c1-26(2)14-9-15(23-11-22-14)28(12-3-4-12)13-5-7-27(8-6-13)10-16-24-25-17(29-16)18(19,20)21/h9,11-13H,3-8,10H2,1-2H3
InChIKeyXRWMKOMLBQLKCM-UHFFFAOYSA-N
XLogP2.58
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126891514) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is XRWMKOMLBQLKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N7O/c1-26(2)14-9-15(23-11-22-14)28(12-3-4-12)13-5-7-27(8-6-13)10-16-24-25-17(29-16)18(19,20)21/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 411.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).