2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine

C14H21N5S — CID 50956790

IUPAC2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2snnc2C(C)C)cc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-8(2)11-6-13(17-10(5)16-11)15-7-12-14(9(3)4)18-19-20-12/h6,8-9H,7H2,1-5H3,(H,15,16,17)
InChIKeyULNQTKYWHRLUAT-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.50
Rot. Bonds5

About 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine

2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 50956790) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID50956790
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2snnc2C(C)C)cc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-8(2)11-6-13(17-10(5)16-11)15-7-12-14(9(3)4)18-19-20-12/h6,8-9H,7H2,1-5H3,(H,15,16,17)
InChIKeyULNQTKYWHRLUAT-UHFFFAOYSA-N
XLogP3.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 50962885
2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204858
1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
CID 138057350
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2,2-difluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 115407053
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 95122382
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-1-amine
CID 65204165
2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74245419
1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
CID 130599823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine (CID 50956790) is 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1nc(NCc2snnc2C(C)C)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is ULNQTKYWHRLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(2)11-6-13(17-10(5)16-11)15-7-12-14(9(3)4)18-19-20-12/h6,8-9H,7H2,1-5H3,(H,15,16,17).
What are the key properties of 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50956790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).