N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine

C22H36N6O4 — CID 166226070

IUPACN-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCC(C3(C)OCCO3)CC2)nc(N2CCC(C3(C)OCCO3)CC2)n1
InChIInChI=1S/C22H36N6O4/c1-21(29-12-13-30-21)16-4-8-27(9-5-16)19-24-18(23-3)25-20(26-19)28-10-6-17(7-11-28)22(2)31-14-15-32-22/h16-17H,4-15H2,1-3H3,(H,23,24,25,26)
InChIKeyNPGAKWVHRUHZQU-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine

N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 166226070) has the molecular formula C22H36N6O4 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID166226070
Molecular FormulaC22H36N6O4
Molecular Weight448.57 g/mol
Exact Mass448.28
IUPAC NameN-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCC(C3(C)OCCO3)CC2)nc(N2CCC(C3(C)OCCO3)CC2)n1
InChIInChI=1S/C22H36N6O4/c1-21(29-12-13-30-21)16-4-8-27(9-5-16)19-24-18(23-3)25-20(26-19)28-10-6-17(7-11-28)22(2)31-14-15-32-22/h16-17H,4-15H2,1-3H3,(H,23,24,25,26)
InChIKeyNPGAKWVHRUHZQU-UHFFFAOYSA-N
XLogP1.87
TPSA94.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 84588620
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
[1-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80777418
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80823839
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine (CID 166226070) is N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine is CNc1nc(N2CCC(C3(C)OCCO3)CC2)nc(N2CCC(C3(C)OCCO3)CC2)n1.
What is the InChIKey of N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is NPGAKWVHRUHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O4/c1-21(29-12-13-30-21)16-4-8-27(9-5-16)19-24-18(23-3)25-20(26-19)28-10-6-17(7-11-28)22(2)31-14-15-32-22/h16-17H,4-15H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine?
N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 448.57 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 166226070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).