2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine

C17H27N7S — CID 172881199

IUPAC2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)c1nsc(N2CCCC(N(C)c3nccc(N(C)C)n3)C2)n1
InChIInChI=1S/C17H27N7S/c1-12(2)15-20-17(25-21-15)24-10-6-7-13(11-24)23(5)16-18-9-8-14(19-16)22(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyWAEYBSNMBWVWLD-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.62
Rot. Bonds5

About 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 172881199) has the molecular formula C17H27N7S and a molecular weight of 361.52 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID172881199
Molecular FormulaC17H27N7S
Molecular Weight361.52 g/mol
Exact Mass361.20
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)c1nsc(N2CCCC(N(C)c3nccc(N(C)C)n3)C2)n1
InChIInChI=1S/C17H27N7S/c1-12(2)15-20-17(25-21-15)24-10-6-7-13(11-24)23(5)16-18-9-8-14(19-16)22(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyWAEYBSNMBWVWLD-UHFFFAOYSA-N
XLogP2.62
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 172881199) is 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine is CC(C)c1nsc(N2CCCC(N(C)c3nccc(N(C)C)n3)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is WAEYBSNMBWVWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7S/c1-12(2)15-20-17(25-21-15)24-10-6-7-13(11-24)23(5)16-18-9-8-14(19-16)22(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 361.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172881199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).