6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

C13H17N5OS — CID 144538324

IUPAC6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCC2CC2)n1
InChIInChI=1S/C13H17N5OS/c1-8-15-11(14-6-13-18-17-9(2)20-13)5-12(16-8)19-7-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyFILUJOPGPSHWHD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.35
Rot. Bonds6

About 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 144538324) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID144538324
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCC2CC2)n1
InChIInChI=1S/C13H17N5OS/c1-8-15-11(14-6-13-18-17-9(2)20-13)5-12(16-8)19-7-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyFILUJOPGPSHWHD-UHFFFAOYSA-N
XLogP2.35
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 144538324) is 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is FILUJOPGPSHWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-15-11(14-6-13-18-17-9(2)20-13)5-12(16-8)19-7-10-3-4-10/h5,10H,3-4,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 144538324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).