N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C15H22N6S — CID 110269981

IUPACN-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc(C2CCN(CC(C)C)C2)n1
InChIInChI=1S/C15H22N6S/c1-10(2)7-21-5-4-12(8-21)13-6-14(18-11(3)17-13)19-15-20-16-9-22-15/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20)
InChIKeyPKTNRRWCLKLMDD-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.83
Rot. Bonds5

About N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 110269981) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID110269981
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc(C2CCN(CC(C)C)C2)n1
InChIInChI=1S/C15H22N6S/c1-10(2)7-21-5-4-12(8-21)13-6-14(18-11(3)17-13)19-15-20-16-9-22-15/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20)
InChIKeyPKTNRRWCLKLMDD-UHFFFAOYSA-N
XLogP2.83
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 110269981) is N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nncs2)cc(C2CCN(CC(C)C)C2)n1.
What is the InChIKey of N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PKTNRRWCLKLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-10(2)7-21-5-4-12(8-21)13-6-14(18-11(3)17-13)19-15-20-16-9-22-15/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20).
What are the key properties of N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110269981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).